3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide

C16H15BrN2O3S — CID 38943715

IUPAC3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1Br
InChIInChI=1S/C16H15BrN2O3S/c1-10-7-11-8-12(3-5-15(11)18-10)19-23(20,21)13-4-6-16(22-2)14(17)9-13/h3-9,18-19H,1-2H3
InChIKeyNQQQFILHUAYRGQ-UHFFFAOYSA-N
MW395.28 g/mol
LogP4.05
Rot. Bonds4

About 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide

3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide (PubChem CID 38943715) has the molecular formula C16H15BrN2O3S and a molecular weight of 395.28 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
PubChem CID38943715
Molecular FormulaC16H15BrN2O3S
Molecular Weight395.28 g/mol
Exact Mass394.00
IUPAC Name3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1Br
InChIInChI=1S/C16H15BrN2O3S/c1-10-7-11-8-12(3-5-15(11)18-10)19-23(20,21)13-4-6-16(22-2)14(17)9-13/h3-9,18-19H,1-2H3
InChIKeyNQQQFILHUAYRGQ-UHFFFAOYSA-N
XLogP4.05
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943761
3-bromo-4-methoxy-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 39361432
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
4-acetyl-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 38943742
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)-4-methoxybenzenesulfonamide
CID 4816110
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-N,N,2-trimethylbenzenesulfonamide
CID 4816105
N-(3-bromo-4-methoxyphenyl)-1H-pyrazole-4-sulfonamide
CID 63998008
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-bromo-N-[4-[(2R)-butan-2-yl]phenyl]-4-methoxybenzenesulfonamide
CID 2697059
N-(3-bromo-4-methylphenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 55676131
3,5-dichloro-4-(2-chloro-4-nitrophenoxy)-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59982329

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide (CID 38943715) is 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is NQQQFILHUAYRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3S/c1-10-7-11-8-12(3-5-15(11)18-10)19-23(20,21)13-4-6-16(22-2)14(17)9-13/h3-9,18-19H,1-2H3.
What are the key properties of 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide?
3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 395.28 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-(2-methyl-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 38943715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).