3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide

C22H20N2O3S — CID 19257347

IUPAC3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H20N2O3S/c1-16-14-17-8-5-6-13-21(17)24(16)22(25)18-9-7-12-20(15-18)28(26,27)23-19-10-3-2-4-11-19/h2-13,15-16,23H,14H2,1H3
InChIKeyVETMQONRLXYJFY-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.08
Rot. Bonds4

About 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide

3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide (PubChem CID 19257347) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide.

Molecular Properties

Compound Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
PubChem CID19257347
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC Name3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H20N2O3S/c1-16-14-17-8-5-6-13-21(17)24(16)22(25)18-9-7-12-20(15-18)28(26,27)23-19-10-3-2-4-11-19/h2-13,15-16,23H,14H2,1H3
InChIKeyVETMQONRLXYJFY-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
N-ethyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940837
3,4-difluoro-N-[4-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 42940841
N-[4-chloro-3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl]benzenesulfonamide
CID 94012252
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 51147421
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
(2-methyl-2,3-dihydroindol-1-yl)-[3-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 109063460
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(4-phenylpiperazin-1-yl)sulfonylphenyl]methanone
CID 25392039
[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-[(4-fluorophenyl)sulfamoyl]benzoate
CID 71903229
N-(3-acetylphenyl)-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 109057702

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide?
The IUPAC name of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide (CID 19257347) is 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide.
What is the SMILES notation for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide?
The canonical SMILES for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide is CC1Cc2ccccc2N1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1.
What is the InChIKey of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide?
The InChIKey is VETMQONRLXYJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-16-14-17-8-5-6-13-21(17)24(16)22(25)18-9-7-12-20(15-18)28(26,27)23-19-10-3-2-4-11-19/h2-13,15-16,23H,14H2,1H3.
What are the key properties of 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide?
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide has a molecular weight of 392.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-phenylbenzenesulfonamide is sourced from PubChem (CID 19257347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).