N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide

C38H38ClFN4O4S2 — CID 158861210

IUPACN-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide
SMILESCn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CCCC2.Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc31)CCCC2
InChIInChI=1S/C19H19ClN2O2S.C19H19FN2O2S/c2*1-22-18-8-3-2-7-16(18)17-12-15(9-10-19(17)22)25(23,24)21-14-6-4-5-13(20)11-14/h2*4-6,9-12,21H,2-3,7-8H2,1H3
InChIKeyJARHSIFUITZITC-UHFFFAOYSA-N
MW733.33 g/mol
LogP8.51
Rot. Bonds6

About N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide

N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide (PubChem CID 158861210) has the molecular formula C38H38ClFN4O4S2 and a molecular weight of 733.33 g/mol. Its IUPAC name is N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide
PubChem CID158861210
Molecular FormulaC38H38ClFN4O4S2
Molecular Weight733.33 g/mol
Exact Mass732.20
IUPAC NameN-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide
SMILESCn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CCCC2.Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc31)CCCC2
InChIInChI=1S/C19H19ClN2O2S.C19H19FN2O2S/c2*1-22-18-8-3-2-7-16(18)17-12-15(9-10-19(17)22)25(23,24)21-14-6-4-5-13(20)11-14/h2*4-6,9-12,21H,2-3,7-8H2,1H3
InChIKeyJARHSIFUITZITC-UHFFFAOYSA-N
XLogP8.51
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.33
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

9-ethyl-N-(4-fluorophenyl)carbazole-3-sulfonamide
CID 16090511
(Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-chloro-2-methyl-1H-indol-3-yl)-N,N-dimethylbenzenesulfonamide
CID 130302766
(Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)-2-chloro-5-(methylsulfonyl)-1H-indol-3-yl)-N,N-dimethylbenzenesulfonamide
CID 130340285
(Z)-1-(4-amino-2-fluorobut-2-en-1-yl)-3-(3-(N,N-dimethylsulfamoyl)phenyl)-N,N,2-trimethyl-1H-indole-5-sulfonamide
CID 130340927
4-chloro-N-[2-[2-[[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indol-2-yl]-(9-ethylcarbazol-2-yl)methyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 145955360
4-chloro-N-[2-[2-[[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indol-2-yl]-(4-fluorophenyl)methyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 145956605
4-chloro-N-[2-[2-[[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-1H-indol-2-yl]-[4-(trifluoromethyl)phenyl]methyl]-1H-indol-3-yl]ethyl]benzenesulfonamide
CID 145960023
N-(2,6-dichloro-3-pyridinyl)-9-ethylcarbazole-3-sulfonamide
CID 44425228
N-(2,6-dichloro-4-pyridinyl)-9-ethylcarbazole-3-sulfonamide
CID 44425229
1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[[3-(dimethylsulfamoyl)phenyl]methyl]-N,N,2-trimethylindole-5-sulfonamide
CID 130335927
1-[(Z)-4-(chloroamino)-2-fluorobut-2-enyl]-3-[[3-(dimethylsulfamoyl)phenyl]methyl]-N,N,2-trimethylindole-5-sulfonamide
CID 130336147
1-[(Z)-4-(chloroamino)-2-fluorobut-2-enyl]-3-[3-(dimethylsulfamoyl)phenyl]-N,N,2-trimethylindole-5-sulfonamide
CID 130340655

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide?
The IUPAC name of N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide (CID 158861210) is N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide is Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc31)CCCC2.Cn1c2c(c3cc(S(=O)(=O)Nc4cccc(F)c4)ccc31)CCCC2.
What is the InChIKey of N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide?
The InChIKey is JARHSIFUITZITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2S.C19H19FN2O2S/c2*1-22-18-8-3-2-7-16(18)17-12-15(9-10-19(17)22)25(23,24)21-14-6-4-5-13(20)11-14/h2*4-6,9-12,21H,2-3,7-8H2,1H3.
What are the key properties of N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide?
N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide has a molecular weight of 733.33 g/mol, XLogP of 8.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide;N-(3-fluorophenyl)-9-methyl-5,6,7,8-tetrahydrocarbazole-3-sulfonamide is sourced from PubChem (CID 158861210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).