2-(benzenesulfonyl)-5-bromo-1H-indole

C14H10BrNO2S — CID 70082037

IUPAC2-(benzenesulfonyl)-5-bromo-1H-indole
SMILESO=S(=O)(c1ccccc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C14H10BrNO2S/c15-11-6-7-13-10(8-11)9-14(16-13)19(17,18)12-4-2-1-3-5-12/h1-9,16H
InChIKeyZDVJXTBFHXIVHF-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.76
Rot. Bonds2

About 2-(benzenesulfonyl)-5-bromo-1H-indole

2-(benzenesulfonyl)-5-bromo-1H-indole (PubChem CID 70082037) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-bromo-1H-indole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-bromo-1H-indole
PubChem CID70082037
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name2-(benzenesulfonyl)-5-bromo-1H-indole
SMILESO=S(=O)(c1ccccc1)c1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C14H10BrNO2S/c15-11-6-7-13-10(8-11)9-14(16-13)19(17,18)12-4-2-1-3-5-12/h1-9,16H
InChIKeyZDVJXTBFHXIVHF-UHFFFAOYSA-N
XLogP3.76
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(benzenesulfonyl)-5-bromo-1H-indole 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

3-(4-bromophenyl)-2-(4-(methylsulfonyl)phenyl)-1H-indole
CID 22285779
benzyl 1H-indol-2-yl sulfide
CID 1811376
1H-Indole, 2-(phenylthio)-
CID 821198
9-Bromo-7,12-dihydro-6-(methylthio)indolo[3,2-d][1]benzazepine
CID 5331116
4-(5-bromo-3-phenyl-1H-indol-2-yl)benzenesulfonamide
CID 22285770
5-bromo-2-(4-(methylsulfonyl)phenyl)-3-phenyl-1H-indole
CID 22285780
5-bromo-N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66546527
5-bromo-N-[(4-phenylphenyl)methyl]-1H-indole-2-sulfonamide
CID 66547074
2-(5-bromo-1H-indol-2-yl)-1,3-benzothiazole
CID 76335884
3-iodo-2-(4-methylphenyl)sulfonyl-1H-indole
CID 69620857
8-bromo-1H,3H,4H,5H-thiopyrano[4,3-b]indole
CID 289119
N-(4-bromophenyl)-4,9-dihydro-[1,3]thiazino[6,5-b]indol-2-amine
CID 72205126

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-bromo-1H-indole?
The IUPAC name of 2-(benzenesulfonyl)-5-bromo-1H-indole (CID 70082037) is 2-(benzenesulfonyl)-5-bromo-1H-indole.
What is the SMILES notation for 2-(benzenesulfonyl)-5-bromo-1H-indole?
The canonical SMILES for 2-(benzenesulfonyl)-5-bromo-1H-indole is O=S(=O)(c1ccccc1)c1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-(benzenesulfonyl)-5-bromo-1H-indole?
The InChIKey is ZDVJXTBFHXIVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c15-11-6-7-13-10(8-11)9-14(16-13)19(17,18)12-4-2-1-3-5-12/h1-9,16H.
What are the key properties of 2-(benzenesulfonyl)-5-bromo-1H-indole?
2-(benzenesulfonyl)-5-bromo-1H-indole has a molecular weight of 336.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-bromo-1H-indole is sourced from PubChem (CID 70082037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).