4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

C22H19BrN2O3S — CID 3580396

IUPAC4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O3S/c1-15-14-16-6-2-5-9-21(16)25(15)22(26)19-7-3-4-8-20(19)24-29(27,28)18-12-10-17(23)11-13-18/h2-13,15,24H,14H2,1H3
InChIKeyMJACNWDRPKKPNG-UHFFFAOYSA-N
MW471.38 g/mol
LogP4.84
Rot. Bonds4

About 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide

4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 3580396) has the molecular formula C22H19BrN2O3S and a molecular weight of 471.38 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID3580396
Molecular FormulaC22H19BrN2O3S
Molecular Weight471.38 g/mol
Exact Mass470.03
IUPAC Name4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H19BrN2O3S/c1-15-14-16-6-2-5-9-21(16)25(15)22(26)19-7-3-4-8-20(19)24-29(27,28)18-12-10-17(23)11-13-18/h2-13,15,24H,14H2,1H3
InChIKeyMJACNWDRPKKPNG-UHFFFAOYSA-N
XLogP4.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-cyclohexyl-2-[methyl(phenylsulfonyl)amino]benzamide
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2-[methyl(phenylsulfonyl)amino]-N-{2-[(propylamino)carbonyl]phenyl}benzamide
CID 2208841
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CID 2519274
N-(4-Bromophenyl)-3-(2,3-dihydro-1H-indole-1-sulfonyl)-4-fluorobenzamide
CID 3605801
2,5-dimethyl-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 3925471
5-(2,3-Dihydro-1H-indole-1-sulfonyl)-N-(2-ethylphenyl)-2-fluorobenzamide
CID 4199420
7-Bromo-5-phenyl-4-[4-(pyrrolidine-1-sulfonyl)benzoyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
CID 4672338
N-(3-amino-3-oxopropyl)-3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 16294735

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide (CID 3580396) is 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is CC1Cc2ccccc2N1C(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is MJACNWDRPKKPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3S/c1-15-14-16-6-2-5-9-21(16)25(15)22(26)19-7-3-4-8-20(19)24-29(27,28)18-12-10-17(23)11-13-18/h2-13,15,24H,14H2,1H3.
What are the key properties of 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide?
4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 471.38 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-methyl-2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 3580396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).