N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide

C23H21ClN2O3S — CID 122372213

IUPACN-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccccc2Cl)[C@]2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H21ClN2O3S/c1-15-11-13-16(14-12-15)30(28,29)26-21(17-7-3-5-9-19(17)24)23(2)18-8-4-6-10-20(18)25-22(23)27/h3-14,21,26H,1-2H3,(H,25,27)/t21-,23-/m1/s1
InChIKeyJCHJQQMCAQQKGZ-FYYLOGMGSA-N
MW440.95 g/mol
LogP4.58
Rot. Bonds5

About N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide

N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 122372213) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID122372213
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC NameN-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N[C@H](c2ccccc2Cl)[C@]2(C)C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C23H21ClN2O3S/c1-15-11-13-16(14-12-15)30(28,29)26-21(17-7-3-5-9-19(17)24)23(2)18-8-4-6-10-20(18)25-22(23)27/h3-14,21,26H,1-2H3,(H,25,27)/t21-,23-/m1/s1
InChIKeyJCHJQQMCAQQKGZ-FYYLOGMGSA-N
XLogP4.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(R)-(3-methyl-2-oxo-1H-indol-3-yl)-(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 139247464
N-[1-(2-chlorophenyl)-2-formylprop-2-enyl]-4-methylbenzenesulfonamide
CID 102577146
N-[(2R)-2-anilino-2-(2-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 71663028
N-[1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 42999040
N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 31391944
2,3-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500668
(3S)-3-methyl-3-(4-methylphenyl)-1H-indol-2-one
CID 102419415
N-[(2E)-1-(2-chlorophenyl)-2-(4-methylphenyl)sulfonylpenta-2,4-dienyl]benzenesulfonamide
CID 102350984
N-(2-chlorophenyl)-3,3-dimethyl-2-oxo-1H-indole-5-sulfonamide
CID 110384518
N-[(4-chlorophenyl)-(2-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 122208016
3-butan-2-yl-3-methyl-1H-indol-2-one
CID 70850477
1-chloro-2-[(4-methylphenyl)sulfonyl-nitrosomethyl]benzene
CID 54519335

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide (CID 122372213) is N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N[C@H](c2ccccc2Cl)[C@]2(C)C(=O)Nc3ccccc32)cc1.
What is the InChIKey of N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is JCHJQQMCAQQKGZ-FYYLOGMGSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c1-15-11-13-16(14-12-15)30(28,29)26-21(17-7-3-5-9-19(17)24)23(2)18-8-4-6-10-20(18)25-22(23)27/h3-14,21,26H,1-2H3,(H,25,27)/t21-,23-/m1/s1.
What are the key properties of N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide?
N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 440.95 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(2-chlorophenyl)-[(3R)-3-methyl-2-oxo-1H-indol-3-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 122372213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).