3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

C14H13BrFNO3S — CID 163393378

IUPAC3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H13BrFNO3S/c1-20-11-4-2-10(3-5-11)9-17-21(18,19)12-6-7-14(16)13(15)8-12/h2-8,17H,9H2,1H3
InChIKeyNVVUZTUAQAPSJN-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.08
Rot. Bonds5

About 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide

3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 163393378) has the molecular formula C14H13BrFNO3S and a molecular weight of 374.23 g/mol. Its IUPAC name is 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID163393378
Molecular FormulaC14H13BrFNO3S
Molecular Weight374.23 g/mol
Exact Mass372.98
IUPAC Name3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(Br)c2)cc1
InChIInChI=1S/C14H13BrFNO3S/c1-20-11-4-2-10(3-5-11)9-17-21(18,19)12-6-7-14(16)13(15)8-12/h2-8,17H,9H2,1H3
InChIKeyNVVUZTUAQAPSJN-UHFFFAOYSA-N
XLogP3.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-fluoro-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 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 163393378) is 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(F)c(Br)c2)cc1.
What is the InChIKey of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is NVVUZTUAQAPSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO3S/c1-20-11-4-2-10(3-5-11)9-17-21(18,19)12-6-7-14(16)13(15)8-12/h2-8,17H,9H2,1H3.
What are the key properties of 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 374.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 163393378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).