5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide

C12H12BrN3O3S — CID 10043916

IUPAC5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CC1
InChIInChI=1S/C12H12BrN3O3S/c13-6-1-4-9-8(5-6)11(10(15-9)12(14)17)20(18,19)16-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H2,14,17)
InChIKeyMKTKXANWQQZNET-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.47
Rot. Bonds4

About 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide

5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide (PubChem CID 10043916) has the molecular formula C12H12BrN3O3S and a molecular weight of 358.22 g/mol. Its IUPAC name is 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide
PubChem CID10043916
Molecular FormulaC12H12BrN3O3S
Molecular Weight358.22 g/mol
Exact Mass356.98
IUPAC Name5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide
SMILESNC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CC1
InChIInChI=1S/C12H12BrN3O3S/c13-6-1-4-9-8(5-6)11(10(15-9)12(14)17)20(18,19)16-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H2,14,17)
InChIKeyMKTKXANWQQZNET-UHFFFAOYSA-N
XLogP1.47
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide 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 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide (CID 10043916) is 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide is NC(=O)c1[nH]c2ccc(Br)cc2c1S(=O)(=O)NC1CC1.
What is the InChIKey of 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide?
The InChIKey is MKTKXANWQQZNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O3S/c13-6-1-4-9-8(5-6)11(10(15-9)12(14)17)20(18,19)16-7-2-3-7/h1,4-5,7,15-16H,2-3H2,(H2,14,17).
What are the key properties of 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide?
5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide has a molecular weight of 358.22 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopropylsulfamoyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 10043916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).