1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane

C125H219ClFN45O49S22 — CID 160919837

IUPAC1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane
SMILESCCCCNS(N)(=O)=O.CCCNS(N)(=O)=O.CCN(CC)S(N)(=O)=O.CCNS(N)(=O)=O.CN(Cc1ccccc1)S(N)(=O)=O.COc1ccc(CNS(N)(=O)=O)cc1.COc1cccc(CNS(N)(=O)=O)c1.COc1ccccc1CNS(N)(=O)=O.Cc1ccc(CNS(N)(=O)=O)cc1.NS(=O)(=O)N1CCOCC1.NS(=O)(=O)NCC1CC1.NS(=O)(=O)NCC1CCCCC1.NS(=O)(=O)NCCc1ccccc1.NS(=O)(=O)NCc1ccc(F)cc1.NS(=O)(=O)NCc1ccc2c(c1)OCO2.NS(=O)(=O)NCc1ccccn1.NS(=O)(=O)NCc1cccnc1.NS(=O)(=O)NCc1ccco1.NS(=O)(=O)NCc1cccs1.NS(=O)(=O)NCc1ccncc1.NS(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H10N2O4S.3C8H12N2O3S.3C8H12N2O2S.C7H9FN2O2S.C7H16N2O2S.C6H7ClN2O2S.3C6H9N3O2S.C5H8N2O3S.C5H8N2O2S2.C4H10N2O3S.C4H10N2O2S.2C4H12N2O2S.C3H10N2O2S.C2H8N2O2S/c9-15(11,12)10-4-6-1-2-7-8(3-6)14-5-13-7;1-13-8-4-2-7(3-5-8)6-10-14(9,11)12;1-13-8-4-2-3-7(5-8)6-10-14(9,11)12;1-13-8-5-3-2-4-7(8)6-10-14(9,11)12;1-7-2-4-8(5-3-7)6-10-13(9,11)12;1-10(13(9,11)12)7-8-5-3-2-4-6-8;9-13(11,12)10-7-6-8-4-2-1-3-5-8;8-7-3-1-6(2-4-7)5-10-13(9,11)12;8-12(10,11)9-6-7-4-2-1-3-5-7;7-5-2-1-3-6(4-5)9-12(8,10)11;7-12(10,11)9-5-6-1-3-8-4-2-6;7-12(10,11)9-5-6-2-1-3-8-4-6;7-12(10,11)9-5-6-3-1-2-4-8-6;2*6-11(8,9)7-4-5-2-1-3-10-5;5-10(7,8)6-1-3-9-4-2-6;5-9(7,8)6-3-4-1-2-4;1-3-6(4-2)9(5,7)8;1-2-3-4-6-9(5,7)8;1-2-3-5-8(4,6)7;1-2-4-7(3,5)6/h1-3,10H,4-5H2,(H2,9,11,12);3*2-5,10H,6H2,1H3,(H2,9,11,12);2-5,10H,6H2,1H3,(H2,9,11,12);2-6H,7H2,1H3,(H2,9,11,12);1-5,10H,6-7H2,(H2,9,11,12);1-4,10H,5H2,(H2,9,11,12);7,9H,1-6H2,(H2,8,10,11);1-4,9H,(H2,8,10,11);3*1-4,9H,5H2,(H2,7,10,11);2*1-3,7H,4H2,(H2,6,8,9);1-4H2,(H2,5,7,8);4,6H,1-3H2,(H2,5,7,8);3-4H2,1-2H3,(H2,5,7,8);6H,2-4H2,1H3,(H2,5,7,8);5H,2-3H2,1H3,(H2,4,6,7);4H,2H2,1H3,(H2,3,5,6)
InChIKeySRWNVTFIQNHGIP-UHFFFAOYSA-N
MW3896.32 g/mol
LogP-5.71
Rot. Bonds64

About 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane

1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane (PubChem CID 160919837) has the molecular formula C125H219ClFN45O49S22 and a molecular weight of 3896.32 g/mol. Its IUPAC name is 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane.

Molecular Properties

Compound Name1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane
PubChem CID160919837
Molecular FormulaC125H219ClFN45O49S22
Molecular Weight3896.32 g/mol
Exact Mass3891.96
IUPAC Name1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane
SMILESCCCCNS(N)(=O)=O.CCCNS(N)(=O)=O.CCN(CC)S(N)(=O)=O.CCNS(N)(=O)=O.CN(Cc1ccccc1)S(N)(=O)=O.COc1ccc(CNS(N)(=O)=O)cc1.COc1cccc(CNS(N)(=O)=O)c1.COc1ccccc1CNS(N)(=O)=O.Cc1ccc(CNS(N)(=O)=O)cc1.NS(=O)(=O)N1CCOCC1.NS(=O)(=O)NCC1CC1.NS(=O)(=O)NCC1CCCCC1.NS(=O)(=O)NCCc1ccccc1.NS(=O)(=O)NCc1ccc(F)cc1.NS(=O)(=O)NCc1ccc2c(c1)OCO2.NS(=O)(=O)NCc1ccccn1.NS(=O)(=O)NCc1cccnc1.NS(=O)(=O)NCc1ccco1.NS(=O)(=O)NCc1cccs1.NS(=O)(=O)NCc1ccncc1.NS(=O)(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C8H10N2O4S.3C8H12N2O3S.3C8H12N2O2S.C7H9FN2O2S.C7H16N2O2S.C6H7ClN2O2S.3C6H9N3O2S.C5H8N2O3S.C5H8N2O2S2.C4H10N2O3S.C4H10N2O2S.2C4H12N2O2S.C3H10N2O2S.C2H8N2O2S/c9-15(11,12)10-4-6-1-2-7-8(3-6)14-5-13-7;1-13-8-4-2-7(3-5-8)6-10-14(9,11)12;1-13-8-4-2-3-7(5-8)6-10-14(9,11)12;1-13-8-5-3-2-4-7(8)6-10-14(9,11)12;1-7-2-4-8(5-3-7)6-10-13(9,11)12;1-10(13(9,11)12)7-8-5-3-2-4-6-8;9-13(11,12)10-7-6-8-4-2-1-3-5-8;8-7-3-1-6(2-4-7)5-10-13(9,11)12;8-12(10,11)9-6-7-4-2-1-3-5-7;7-5-2-1-3-6(4-5)9-12(8,10)11;7-12(10,11)9-5-6-1-3-8-4-2-6;7-12(10,11)9-5-6-2-1-3-8-4-6;7-12(10,11)9-5-6-3-1-2-4-8-6;2*6-11(8,9)7-4-5-2-1-3-10-5;5-10(7,8)6-1-3-9-4-2-6;5-9(7,8)6-3-4-1-2-4;1-3-6(4-2)9(5,7)8;1-2-3-4-6-9(5,7)8;1-2-3-5-8(4,6)7;1-2-4-7(3,5)6/h1-3,10H,4-5H2,(H2,9,11,12);3*2-5,10H,6H2,1H3,(H2,9,11,12);2-5,10H,6H2,1H3,(H2,9,11,12);2-6H,7H2,1H3,(H2,9,11,12);1-5,10H,6-7H2,(H2,9,11,12);1-4,10H,5H2,(H2,9,11,12);7,9H,1-6H2,(H2,8,10,11);1-4,9H,(H2,8,10,11);3*1-4,9H,5H2,(H2,7,10,11);2*1-3,7H,4H2,(H2,6,8,9);1-4H2,(H2,5,7,8);4,6H,1-3H2,(H2,5,7,8);3-4H2,1-2H3,(H2,5,7,8);6H,2-4H2,1H3,(H2,5,7,8);5H,2-3H2,1H3,(H2,4,6,7);4H,2H2,1H3,(H2,3,5,6)
InChIKeySRWNVTFIQNHGIP-UHFFFAOYSA-N
XLogP-5.71
TPSA1596.81 Ų
H-Bond Donors39
H-Bond Acceptors53
Rotatable Bonds64
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003896.32
LogP ≤ 5-5.71
H-Bond Donors ≤ 539
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane with MolForge

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Related Compounds

1,3-benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;1,2-dimethoxyethane;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;methanidyl-[3-[4-(trifluoromethyl)phenyl]propyl]azanium;N-[4-(methoxymethyl)phenyl]acetamide;[4-(methoxymethyl)phenyl] acetate
CID 160332609
1-Chloro-4-[(sulfamoylamino)methyl]benzene;[ethyl(sulfamoyl)amino]ethane;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane
CID 157610328
1,3-Benzodioxol-5-ylmethyl(methanidyl)azanium;1-chloro-4-(methoxymethyl)benzene;1,3-difluoro-2-(methoxymethyl)benzene;(2,6-difluorophenyl)methyl-methanidylazanium;(3,4-dimethoxyphenyl)methyl-methanidylazanium;(3-fluorophenyl)methyl-methanidylazanium;(4-fluorophenyl)methyl-methanidylazanium;furan-2-ylmethyl(methanidyl)azanium;methanidyl-[2-(4-methoxyphenyl)ethyl]azanium;methanidyl-[(4-methoxyphenyl)methyl]azanium;methanidyl-[(4-methylphenyl)methyl]azanium;methanidyl(3-phenylpropyl)azanium;methanidyl(pyridin-2-ylmethyl)azanium;methanidyl(pyridin-4-ylmethyl)azanium;methanidyl(thiophen-2-ylmethyl)azanium;methanidyl-[[4-(trifluoromethyl)phenyl]methyl]azanium;[4-(methoxymethyl)phenyl] acetate
CID 160901518

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane?
The IUPAC name of 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane (CID 160919837) is 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane.
What is the SMILES notation for 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane?
The canonical SMILES for 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane is CCCCNS(N)(=O)=O.CCCNS(N)(=O)=O.CCN(CC)S(N)(=O)=O.CCNS(N)(=O)=O.CN(Cc1ccccc1)S(N)(=O)=O.COc1ccc(CNS(N)(=O)=O)cc1.COc1cccc(CNS(N)(=O)=O)c1.COc1ccccc1CNS(N)(=O)=O.Cc1ccc(CNS(N)(=O)=O)cc1.NS(=O)(=O)N1CCOCC1.NS(=O)(=O)NCC1CC1.NS(=O)(=O)NCC1CCCCC1.NS(=O)(=O)NCCc1ccccc1.NS(=O)(=O)NCc1ccc(F)cc1.NS(=O)(=O)NCc1ccc2c(c1)OCO2.NS(=O)(=O)NCc1ccccn1.NS(=O)(=O)NCc1cccnc1.NS(=O)(=O)NCc1ccco1.NS(=O)(=O)NCc1cccs1.NS(=O)(=O)NCc1ccncc1.NS(=O)(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane?
The InChIKey is SRWNVTFIQNHGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S.3C8H12N2O3S.3C8H12N2O2S.C7H9FN2O2S.C7H16N2O2S.C6H7ClN2O2S.3C6H9N3O2S.C5H8N2O3S.C5H8N2O2S2.C4H10N2O3S.C4H10N2O2S.2C4H12N2O2S.C3H10N2O2S.C2H8N2O2S/c9-15(11,12)10-4-6-1-2-7-8(3-6)14-5-13-7;1-13-8-4-2-7(3-5-8)6-10-14(9,11)12;1-13-8-4-2-3-7(5-8)6-10-14(9,11)12;1-13-8-5-3-2-4-7(8)6-10-14(9,11)12;1-7-2-4-8(5-3-7)6-10-13(9,11)12;1-10(13(9,11)12)7-8-5-3-2-4-6-8;9-13(11,12)10-7-6-8-4-2-1-3-5-8;8-7-3-1-6(2-4-7)5-10-13(9,11)12;8-12(10,11)9-6-7-4-2-1-3-5-7;7-5-2-1-3-6(4-5)9-12(8,10)11;7-12(10,11)9-5-6-1-3-8-4-2-6;7-12(10,11)9-5-6-2-1-3-8-4-6;7-12(10,11)9-5-6-3-1-2-4-8-6;2*6-11(8,9)7-4-5-2-1-3-10-5;5-10(7,8)6-1-3-9-4-2-6;5-9(7,8)6-3-4-1-2-4;1-3-6(4-2)9(5,7)8;1-2-3-4-6-9(5,7)8;1-2-3-5-8(4,6)7;1-2-4-7(3,5)6/h1-3,10H,4-5H2,(H2,9,11,12);3*2-5,10H,6H2,1H3,(H2,9,11,12);2-5,10H,6H2,1H3,(H2,9,11,12);2-6H,7H2,1H3,(H2,9,11,12);1-5,10H,6-7H2,(H2,9,11,12);1-4,10H,5H2,(H2,9,11,12);7,9H,1-6H2,(H2,8,10,11);1-4,9H,(H2,8,10,11);3*1-4,9H,5H2,(H2,7,10,11);2*1-3,7H,4H2,(H2,6,8,9);1-4H2,(H2,5,7,8);4,6H,1-3H2,(H2,5,7,8);3-4H2,1-2H3,(H2,5,7,8);6H,2-4H2,1H3,(H2,5,7,8);5H,2-3H2,1H3,(H2,4,6,7);4H,2H2,1H3,(H2,3,5,6).
What are the key properties of 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane?
1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane has a molecular weight of 3896.32 g/mol, XLogP of -5.71, 64 rotatable bonds, 39 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(sulfamoylamino)benzene;[ethyl(sulfamoyl)amino]ethane;1-fluoro-4-[(sulfamoylamino)methyl]benzene;1-methoxy-2-[(sulfamoylamino)methyl]benzene;1-methoxy-3-[(sulfamoylamino)methyl]benzene;1-methoxy-4-[(sulfamoylamino)methyl]benzene;[methyl(sulfamoyl)amino]methylbenzene;1-methyl-4-[(sulfamoylamino)methyl]benzene;morpholine-4-sulfonamide;1-(sulfamoylamino)butane;(sulfamoylamino)ethane;2-(sulfamoylamino)ethylbenzene;5-[(sulfamoylamino)methyl]-1,3-benzodioxole;(sulfamoylamino)methylcyclohexane;(sulfamoylamino)methylcyclopropane;2-[(sulfamoylamino)methyl]furan;2-[(sulfamoylamino)methyl]pyridine;3-[(sulfamoylamino)methyl]pyridine;4-[(sulfamoylamino)methyl]pyridine;2-[(sulfamoylamino)methyl]thiophene;1-(sulfamoylamino)propane is sourced from PubChem (CID 160919837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).