2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

C11H11BrN2O2S — CID 114182139

IUPAC2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1ccccc1Br
InChIInChI=1S/C11H11BrN2O2S/c12-10-3-1-2-4-11(10)17(15,16)14-8-9-5-6-13-7-9/h1-7,13-14H,8H2
InChIKeyYRRYMASAOFPASL-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.26
Rot. Bonds4

About 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide

2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (PubChem CID 114182139) has the molecular formula C11H11BrN2O2S and a molecular weight of 315.19 g/mol. Its IUPAC name is 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
PubChem CID114182139
Molecular FormulaC11H11BrN2O2S
Molecular Weight315.19 g/mol
Exact Mass313.97
IUPAC Name2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc[nH]c1)c1ccccc1Br
InChIInChI=1S/C11H11BrN2O2S/c12-10-3-1-2-4-11(10)17(15,16)14-8-9-5-6-13-7-9/h1-7,13-14H,8H2
InChIKeyYRRYMASAOFPASL-UHFFFAOYSA-N
XLogP2.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-(1H-pyrrol-3-ylmethyl)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-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
5-bromo-2-oxo-N-(1H-pyrrol-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 115119241
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-ethyl-2-(1H-pyrrol-3-ylmethylamino)benzenesulfonamide
CID 66410475
2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
CID 115119268
2,5-difluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386078
2-chloro-5-fluoro-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 106386170
2-bromo-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4982675
2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 113245563
methyl 4-[[(2-bromophenyl)sulfonylamino]methyl]benzoate
CID 55353323

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide (CID 114182139) is 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1cc[nH]c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
The InChIKey is YRRYMASAOFPASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2S/c12-10-3-1-2-4-11(10)17(15,16)14-8-9-5-6-13-7-9/h1-7,13-14H,8H2.
What are the key properties of 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide?
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide has a molecular weight of 315.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 114182139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).