N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

C23H19ClN2O5S2 — CID 155565781

IUPACN-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C23H19ClN2O5S2/c1-14-10-15(2)12-18(11-14)32(28,29)22-19-13-16(24)8-9-20(19)25-21(22)23(27)26-33(30,31)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,27)
InChIKeyZPEXMMCVEQZRBY-UHFFFAOYSA-N
MW503.00 g/mol
LogP4.39
Rot. Bonds5

About N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide

N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (PubChem CID 155565781) has the molecular formula C23H19ClN2O5S2 and a molecular weight of 503.00 g/mol. Its IUPAC name is N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
PubChem CID155565781
Molecular FormulaC23H19ClN2O5S2
Molecular Weight503.00 g/mol
Exact Mass502.04
IUPAC NameN-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
SMILESCc1cc(C)cc(S(=O)(=O)c2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3ccc(Cl)cc23)c1
InChIInChI=1S/C23H19ClN2O5S2/c1-14-10-15(2)12-18(11-14)32(28,29)22-19-13-16(24)8-9-20(19)25-21(22)23(27)26-33(30,31)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,27)
InChIKeyZPEXMMCVEQZRBY-UHFFFAOYSA-N
XLogP4.39
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.00
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-ethylsulfonyl-1H-indole-2-carboxamide
CID 155519742
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-hydroxyethyl)-1H-indole-2-carboxamide
CID 3013828
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(2-phenoxyethyl)-1H-indole-2-carboxamide
CID 51353994
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 90676827
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-(3-hydroxyphenyl)-1H-indole-2-carboxamide
CID 162650463
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[2-(naphthalen-2-ylsulfonylamino)ethyl]-1H-indole-2-carboxamide
CID 175442318
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[4-[(4-fluorophenyl)sulfonylamino]butyl]-1H-indole-2-carboxamide
CID 166068026
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[1-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 162645271
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indol-2-ol
CID 70947557
5-chloro-3-(3,5-dimethylphenyl)sulfonyl-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-1H-indole-2-carboxamide
CID 162672746
ethyl 2-[[2-[[5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carbonyl]amino]acetyl]amino]acetate
CID 11318113
N-[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide
CID 3010616

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide (CID 155565781) is N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NS(=O)(=O)c3ccccc3)[nH]c3ccc(Cl)cc23)c1.
What is the InChIKey of N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
The InChIKey is ZPEXMMCVEQZRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O5S2/c1-14-10-15(2)12-18(11-14)32(28,29)22-19-13-16(24)8-9-20(19)25-21(22)23(27)26-33(30,31)17-6-4-3-5-7-17/h3-13,25H,1-2H3,(H,26,27).
What are the key properties of N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide?
N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide has a molecular weight of 503.00 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-5-chloro-3-(3,5-dimethylphenyl)sulfonyl-1H-indole-2-carboxamide is sourced from PubChem (CID 155565781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).