2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide

C12H13BrN2O2S — CID 113248637

IUPAC2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C12H13BrN2O2S/c1-15-7-6-10(9-15)8-14-18(16,17)12-5-3-2-4-11(12)13/h2-7,9,14H,8H2,1H3
InChIKeyNUCWJMVOSWRKJQ-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.27
Rot. Bonds4

About 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide

2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide (PubChem CID 113248637) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
PubChem CID113248637
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
SMILESCn1ccc(CNS(=O)(=O)c2ccccc2Br)c1
InChIInChI=1S/C12H13BrN2O2S/c1-15-7-6-10(9-15)8-14-18(16,17)12-5-3-2-4-11(12)13/h2-7,9,14H,8H2,1H3
InChIKeyNUCWJMVOSWRKJQ-UHFFFAOYSA-N
XLogP2.27
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide 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

2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782630
2-bromo-4-methyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248631
3-bromo-4-[(1-methylpyrrol-3-yl)methylsulfamoyl]benzoic acid
CID 106390601
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 113245563
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
2-bromo-5-[(1-methylpyrrol-3-yl)methylsulfamoyl]benzoic acid
CID 106390616
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323
3,4-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782569

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide (CID 113248637) is 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide is Cn1ccc(CNS(=O)(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
The InChIKey is NUCWJMVOSWRKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-15-7-6-10(9-15)8-14-18(16,17)12-5-3-2-4-11(12)13/h2-7,9,14H,8H2,1H3.
What are the key properties of 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide?
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide has a molecular weight of 329.22 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 113248637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).