1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide

C23H21ClN2O3S — CID 100765297

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O3S/c1-16-3-2-4-17(13-16)15-25-23(27)19-5-10-22-18(14-19)11-12-26(22)30(28,29)21-8-6-20(24)7-9-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)
InChIKeyZSMLYAJDJOAYLB-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.33
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 100765297) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
PubChem CID100765297
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C23H21ClN2O3S/c1-16-3-2-4-17(13-16)15-25-23(27)19-5-10-22-18(14-19)11-12-26(22)30(28,29)21-8-6-20(24)7-9-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,27)
InChIKeyZSMLYAJDJOAYLB-UHFFFAOYSA-N
XLogP4.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841
1-(4-chlorophenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765259
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 23608871
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801370
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
4-chloro-N-[(3-methylphenyl)methyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969266

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide (CID 100765297) is 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide is Cc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
The InChIKey is ZSMLYAJDJOAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c1-16-3-2-4-17(13-16)15-25-23(27)19-5-10-22-18(14-19)11-12-26(22)30(28,29)21-8-6-20(24)7-9-21/h2-10,13-14H,11-12,15H2,1H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 440.95 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 100765297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).