N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

C15H13BrN2O3S — CID 6625022

IUPACN-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1Br
InChIInChI=1S/C15H13BrN2O3S/c1-9-6-11(2-4-13(9)16)18-22(20,21)12-3-5-14-10(7-12)8-15(19)17-14/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyWCXXJBIHBVTFIN-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.05
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide

N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 6625022) has the molecular formula C15H13BrN2O3S and a molecular weight of 381.25 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID6625022
Molecular FormulaC15H13BrN2O3S
Molecular Weight381.25 g/mol
Exact Mass379.98
IUPAC NameN-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1Br
InChIInChI=1S/C15H13BrN2O3S/c1-9-6-11(2-4-13(9)16)18-22(20,21)12-3-5-14-10(7-12)8-15(19)17-14/h2-7,18H,8H2,1H3,(H,17,19)
InChIKeyWCXXJBIHBVTFIN-UHFFFAOYSA-N
XLogP3.05
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 6625022) is N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is WCXXJBIHBVTFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3S/c1-9-6-11(2-4-13(9)16)18-22(20,21)12-3-5-14-10(7-12)8-15(19)17-14/h2-7,18H,8H2,1H3,(H,17,19).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 381.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 6625022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).