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

C12H13BrN2O2S — CID 113245563

IUPAC2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCn1cccc1CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H13BrN2O2S/c1-15-8-4-5-10(15)9-14-18(16,17)12-7-3-2-6-11(12)13/h2-8,14H,9H2,1H3
InChIKeyRPNUREKTONIKPU-UHFFFAOYSA-N
MW329.22 g/mol
LogP2.27
Rot. Bonds4

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

2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (PubChem CID 113245563) has the molecular formula C12H13BrN2O2S and a molecular weight of 329.22 g/mol. Its IUPAC name is 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
PubChem CID113245563
Molecular FormulaC12H13BrN2O2S
Molecular Weight329.22 g/mol
Exact Mass327.99
IUPAC Name2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
SMILESCn1cccc1CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C12H13BrN2O2S/c1-15-8-4-5-10(15)9-14-18(16,17)12-7-3-2-6-11(12)13/h2-8,14H,9H2,1H3
InChIKeyRPNUREKTONIKPU-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

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Related Compounds

2-bromo-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 113248637
3-bromo-4-chloro-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 106546394
5-bromo-4-[(1-methylpyrrol-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106415067
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103710703
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
4-chloro-3-[(1-methylpyrrol-2-yl)methylsulfamoyl]benzoic acid
CID 106415051
2-bromo-N-(1H-pyrrol-3-ylmethyl)benzenesulfonamide
CID 114182139
N-[2-[(1-methylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 62131328
2-bromo-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4982675
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326
4-(cyanomethyl)-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide
CID 103721191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide (CID 113245563) is 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide is Cn1cccc1CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
The InChIKey is RPNUREKTONIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2S/c1-15-8-4-5-10(15)9-14-18(16,17)12-7-3-2-6-11(12)13/h2-8,14H,9H2,1H3.
What are the key properties of 2-bromo-N-[(1-methylpyrrol-2-yl)methyl]benzenesulfonamide?
2-bromo-N-[(1-methylpyrrol-2-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-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 113245563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).