(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

C23H24N2O4S2 — CID 1269756

IUPAC(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)NCc4ccccc4)cc3C[C@@H]2C)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-8-10-21(11-9-17)31(28,29)25-18(2)14-20-15-22(12-13-23(20)25)30(26,27)24-16-19-6-4-3-5-7-19/h3-13,15,18,24H,14,16H2,1-2H3/t18-/m0/s1
InChIKeyCQYCBJSFPNNIFK-SFHVURJKSA-N
MW456.59 g/mol
LogP3.61
Rot. Bonds6

About (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide

(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 1269756) has the molecular formula C23H24N2O4S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID1269756
Molecular FormulaC23H24N2O4S2
Molecular Weight456.59 g/mol
Exact Mass456.12
IUPAC Name(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)NCc4ccccc4)cc3C[C@@H]2C)cc1
InChIInChI=1S/C23H24N2O4S2/c1-17-8-10-21(11-9-17)31(28,29)25-18(2)14-20-15-22(12-13-23(20)25)30(26,27)24-16-19-6-4-3-5-7-19/h3-13,15,18,24H,14,16H2,1-2H3/t18-/m0/s1
InChIKeyCQYCBJSFPNNIFK-SFHVURJKSA-N
XLogP3.61
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15993618
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770
3-[[(2R)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 92687837
(2R)-1-acetyl-N-[(1-benzylpyrrol-2-yl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 93072300
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
(2R)-1-(benzenesulfonyl)-2-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100766947
(4R,5S)-4-benzyl-5-methyl-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 15463005
(2S)-N-[4-(2-amino-2-oxoethyl)phenyl]-1-(benzenesulfonyl)-2-methyl-2,3-dihydroindole-5-carboxamide
CID 100766861
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 1269756) is (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is Cc1ccc(S(=O)(=O)N2c3ccc(S(=O)(=O)NCc4ccccc4)cc3C[C@@H]2C)cc1.
What is the InChIKey of (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is CQYCBJSFPNNIFK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N2O4S2/c1-17-8-10-21(11-9-17)31(28,29)25-18(2)14-20-15-22(12-13-23(20)25)30(26,27)24-16-19-6-4-3-5-7-19/h3-13,15,18,24H,14,16H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 456.59 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 1269756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).