N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide

C60H68Cl2N18O14S4 — CID 157272709

IUPACN-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)Cl.CS(=O)(=O)Nc1ccc(N)cc1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1.Cn1cnc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1cnc2ccc(-c3cc(Nc4ccc(NS(C)(=O)=O)cc4)nc(N4CCOCC4)n3)cc21.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H25N7O3S.C16H16ClN5O.C7H8N2O4S.C7H10N2O2S.C6H6N2O2.CH3ClO2S/c1-29-15-24-19-8-3-16(13-21(19)29)20-14-22(27-23(26-20)30-9-11-33-12-10-30)25-17-4-6-18(7-5-17)28-34(2,31)32;1-21-10-18-12-3-2-11(8-14(12)21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;1-14(12,13)8-6-2-4-7(5-3-6)9(10)11;1-12(10,11)9-7-4-2-6(8)3-5-7;7-5-1-3-6(4-2-5)8(9)10;1-5(2,3)4/h3-8,13-15,28H,9-12H2,1-2H3,(H,25,26,27);2-3,8-10H,4-7H2,1H3;2-5,8H,1H3;2-5,9H,8H2,1H3;1-4H,7H2;1H3
InChIKeyAYSNVVMKEMFQJN-UHFFFAOYSA-N
MW1464.49 g/mol
LogP8.47
Rot. Bonds14

About N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide

N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide (PubChem CID 157272709) has the molecular formula C60H68Cl2N18O14S4 and a molecular weight of 1464.49 g/mol. Its IUPAC name is N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide
PubChem CID157272709
Molecular FormulaC60H68Cl2N18O14S4
Molecular Weight1464.49 g/mol
Exact Mass1462.34
IUPAC NameN-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide
SMILESCS(=O)(=O)Cl.CS(=O)(=O)Nc1ccc(N)cc1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1.Cn1cnc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1cnc2ccc(-c3cc(Nc4ccc(NS(C)(=O)=O)cc4)nc(N4CCOCC4)n3)cc21.Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C23H25N7O3S.C16H16ClN5O.C7H8N2O4S.C7H10N2O2S.C6H6N2O2.CH3ClO2S/c1-29-15-24-19-8-3-16(13-21(19)29)20-14-22(27-23(26-20)30-9-11-33-12-10-30)25-17-4-6-18(7-5-17)28-34(2,31)32;1-21-10-18-12-3-2-11(8-14(12)21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;1-14(12,13)8-6-2-4-7(5-3-6)9(10)11;1-12(10,11)9-7-4-2-6(8)3-5-7;7-5-1-3-6(4-2-5)8(9)10;1-5(2,3)4/h3-8,13-15,28H,9-12H2,1-2H3,(H,25,26,27);2-3,8-10H,4-7H2,1H3;2-5,8H,1H3;2-5,9H,8H2,1H3;1-4H,7H2;1H3
InChIKeyAYSNVVMKEMFQJN-UHFFFAOYSA-N
XLogP8.47
TPSA435.14 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001464.49
LogP ≤ 58.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide with MolForge

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Related Compounds

6-chloro-N-(4-isocyanophenyl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-isocyanoaniline;N-(4-isocyanophenyl)-6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-amine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
CID 158255110
4-Aminobenzenesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzenesulfonamide;4-nitrobenzenesulfonamide;4-nitrobenzenesulfonyl chloride
CID 159428880
tert-butyl N-(4-aminophenyl)carbamate;tert-butyl N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;tert-butyl N-(4-nitrophenyl)carbamate;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanol;4-N-[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]benzene-1,4-diamine;4-nitroaniline;hydrochloride
CID 159876588
N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;5,6-dimethylpyrazin-2-amine;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide;N-[2-[[5-[(5,6-dimethylpyrazin-2-yl)methyl]-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]-5-methylphenyl]-N-methylmethanesulfonamide
CID 160954811
6-chloro-N-[3-[[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]methyl]phenyl]pyrimidin-4-amine;4,6-dichloropyrimidine;3-[[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]methyl]aniline
CID 161092792
acetyl chloride;N-(4-aminophenyl)acetamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]acetamide;4-nitroaniline;N-(4-nitrophenyl)acetamide
CID 161784116
methane;4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)aniline;N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-1-(4-nitrophenyl)methanesulfonamide;(4-nitrophenyl)methanesulfonyl chloride
CID 165096977

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide?
The IUPAC name of N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide (CID 157272709) is N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide?
The canonical SMILES for N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide is CS(=O)(=O)Cl.CS(=O)(=O)Nc1ccc(N)cc1.CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1.Cn1cnc2ccc(-c3cc(Cl)nc(N4CCOCC4)n3)cc21.Cn1cnc2ccc(-c3cc(Nc4ccc(NS(C)(=O)=O)cc4)nc(N4CCOCC4)n3)cc21.Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide?
The InChIKey is AYSNVVMKEMFQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S.C16H16ClN5O.C7H8N2O4S.C7H10N2O2S.C6H6N2O2.CH3ClO2S/c1-29-15-24-19-8-3-16(13-21(19)29)20-14-22(27-23(26-20)30-9-11-33-12-10-30)25-17-4-6-18(7-5-17)28-34(2,31)32;1-21-10-18-12-3-2-11(8-14(12)21)13-9-15(17)20-16(19-13)22-4-6-23-7-5-22;1-14(12,13)8-6-2-4-7(5-3-6)9(10)11;1-12(10,11)9-7-4-2-6(8)3-5-7;7-5-1-3-6(4-2-5)8(9)10;1-5(2,3)4/h3-8,13-15,28H,9-12H2,1-2H3,(H,25,26,27);2-3,8-10H,4-7H2,1H3;2-5,8H,1H3;2-5,9H,8H2,1H3;1-4H,7H2;1H3.
What are the key properties of N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide?
N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide has a molecular weight of 1464.49 g/mol, XLogP of 8.47, 14 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)methanesulfonamide;4-[4-chloro-6-(3-methylbenzimidazol-5-yl)pyrimidin-2-yl]morpholine;methanesulfonyl chloride;N-[4-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]methanesulfonamide;4-nitroaniline;N-(4-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 157272709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).