2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C19H22BrNO3S — CID 53245341

IUPAC2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H22BrNO3S/c1-24-17-12-10-15(11-13-17)14-21(16-6-2-3-7-16)25(22,23)19-9-5-4-8-18(19)20/h4-5,8-13,16H,2-3,6-7,14H2,1H3
InChIKeyGOAHTOSYTPJFBZ-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.59
Rot. Bonds6

About 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 53245341) has the molecular formula C19H22BrNO3S and a molecular weight of 424.36 g/mol. Its IUPAC name is 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID53245341
Molecular FormulaC19H22BrNO3S
Molecular Weight424.36 g/mol
Exact Mass423.05
IUPAC Name2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccccc2Br)cc1
InChIInChI=1S/C19H22BrNO3S/c1-24-17-12-10-15(11-13-17)14-21(16-6-2-3-7-16)25(22,23)19-9-5-4-8-18(19)20/h4-5,8-13,16H,2-3,6-7,14H2,1H3
InChIKeyGOAHTOSYTPJFBZ-UHFFFAOYSA-N
XLogP4.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 53245341) is 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is GOAHTOSYTPJFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrNO3S/c1-24-17-12-10-15(11-13-17)14-21(16-6-2-3-7-16)25(22,23)19-9-5-4-8-18(19)20/h4-5,8-13,16H,2-3,6-7,14H2,1H3.
What are the key properties of 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 424.36 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopentyl-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 53245341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).