1-(4-bromophenyl)sulfonylindole-3-carboxylic acid

C15H10BrNO4S — CID 16738708

IUPAC1-(4-bromophenyl)sulfonylindole-3-carboxylic acid
SMILESO=C(O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19)
InChIKeyGVJMLPMDLUIKOZ-UHFFFAOYSA-N
MW380.22 g/mol
LogP3.34
Rot. Bonds3

About 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid

1-(4-bromophenyl)sulfonylindole-3-carboxylic acid (PubChem CID 16738708) has the molecular formula C15H10BrNO4S and a molecular weight of 380.22 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylindole-3-carboxylic acid
PubChem CID16738708
Molecular FormulaC15H10BrNO4S
Molecular Weight380.22 g/mol
Exact Mass378.95
IUPAC Name1-(4-bromophenyl)sulfonylindole-3-carboxylic acid
SMILESO=C(O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12
InChIInChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19)
InChIKeyGVJMLPMDLUIKOZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.22
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid (CID 16738708) is 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid is O=C(O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2ccccc12.
What is the InChIKey of 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid?
The InChIKey is GVJMLPMDLUIKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4S/c16-10-5-7-11(8-6-10)22(20,21)17-9-13(15(18)19)12-3-1-2-4-14(12)17/h1-9H,(H,18,19).
What are the key properties of 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid?
1-(4-bromophenyl)sulfonylindole-3-carboxylic acid has a molecular weight of 380.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylindole-3-carboxylic acid is sourced from PubChem (CID 16738708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).