4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide

C34H31ClN2O3S — CID 143202660

IUPAC4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)C4CC4c4ccc(Cl)cc4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C34H31ClN2O3S/c1-34(2,3)23-11-16-26(17-12-23)41(39,40)37-25-15-18-30-29(19-25)31(22-7-5-4-6-8-22)32(36-30)33(38)28-20-27(28)21-9-13-24(35)14-10-21/h4-19,27-28,36-37H,20H2,1-3H3
InChIKeyCCGIEWIHODFCJU-UHFFFAOYSA-N
MW583.15 g/mol
LogP8.57
Rot. Bonds7

About 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide

4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide (PubChem CID 143202660) has the molecular formula C34H31ClN2O3S and a molecular weight of 583.15 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
PubChem CID143202660
Molecular FormulaC34H31ClN2O3S
Molecular Weight583.15 g/mol
Exact Mass582.17
IUPAC Name4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)C4CC4c4ccc(Cl)cc4)c(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C34H31ClN2O3S/c1-34(2,3)23-11-16-26(17-12-23)41(39,40)37-25-15-18-30-29(19-25)31(22-7-5-4-6-8-22)32(36-30)33(38)28-20-27(28)21-9-13-24(35)14-10-21/h4-19,27-28,36-37H,20H2,1-3H3
InChIKeyCCGIEWIHODFCJU-UHFFFAOYSA-N
XLogP8.57
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.15
LogP ≤ 58.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-tert-butylphenyl)sulfonylamino]-3-(3-chlorophenyl)-1H-indole-2-carboxylic acid
CID 68851208
5-[(4-tert-butylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-3-phenyl-1H-indole-2-carboxamide
CID 58622297
5-[(4-tert-butylphenyl)sulfonylamino]-N-cycloheptyl-3-phenyl-1H-indole-2-carboxamide
CID 58622331
4-tert-butyl-N-[2-[2-(cyclohept-3-en-1-ylmethyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
CID 143202674
4-tert-butyl-N-[2-[3-(cyclopropylmethyl)but-3-enoyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide
CID 143202698
4-tert-butyl-N-(1H-indol-5-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indole-2-carboxylic acid
CID 159239888
[5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indol-2-yl] hydrogen carbonate
CID 68849323
N-(1-benzylpiperidin-4-yl)-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1H-indole-2-carboxamide
CID 58622329
5-[(4-tert-butylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)-3-phenyl-1H-indole-2-carboxamide
CID 58622370
5-[(4-tert-butylphenyl)sulfonylamino]-N-[(1R)-2-hydroxy-1-phenylethyl]-3-phenyl-1H-indole-2-carboxamide
CID 68851219
5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-N-(2-piperidin-1-ylethyl)-1H-indole-2-carboxamide
CID 58622320
5-[(4-tert-butylphenyl)sulfonylamino]-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid
CID 69246004

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide (CID 143202660) is 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]c(C(=O)C4CC4c4ccc(Cl)cc4)c(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide?
The InChIKey is CCGIEWIHODFCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31ClN2O3S/c1-34(2,3)23-11-16-26(17-12-23)41(39,40)37-25-15-18-30-29(19-25)31(22-7-5-4-6-8-22)32(36-30)33(38)28-20-27(28)21-9-13-24(35)14-10-21/h4-19,27-28,36-37H,20H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide?
4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide has a molecular weight of 583.15 g/mol, XLogP of 8.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-[2-(4-chlorophenyl)cyclopropanecarbonyl]-3-phenyl-1H-indol-5-yl]benzenesulfonamide is sourced from PubChem (CID 143202660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).