N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide

C14H12BrClFNO2S — CID 7937766

IUPACN-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)12-6-7-14(17)13(16)8-12/h2-8H,9H2,1H3
InChIKeySSLWMHHFFDVXCZ-UHFFFAOYSA-N
MW392.68 g/mol
LogP4.06
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide

N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 7937766) has the molecular formula C14H12BrClFNO2S and a molecular weight of 392.68 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
PubChem CID7937766
Molecular FormulaC14H12BrClFNO2S
Molecular Weight392.68 g/mol
Exact Mass390.94
IUPAC NameN-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12BrClFNO2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)12-6-7-14(17)13(16)8-12/h2-8H,9H2,1H3
InChIKeySSLWMHHFFDVXCZ-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.68
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide 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

4-bromo-N-[(4-bromophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697185
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
3-bromo-N-[(4-chlorophenyl)methyl]-4-methoxy-N-methylbenzenesulfonamide
CID 28956911
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
4-bromo-3-fluoro-N-[(4-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 103834156
N-[(4-bromophenyl)methyl]-4-methoxy-N,3-dimethylbenzenesulfonamide
CID 37497105
N-[(4-bromophenyl)methyl]-2-chloro-N,4-dimethylbenzenesulfonamide
CID 32675568
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
4-bromo-N-[(3,4-difluorophenyl)methyl]-N,3-dimethylbenzenesulfonamide
CID 24679086
4-chloro-N-[(4-chlorophenyl)methyl]-3-cyano-N-methylbenzenesulfonamide
CID 55907073
N-[(4-bromophenyl)methyl]-2-[(4-chlorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26048426

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide (CID 7937766) is N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is SSLWMHHFFDVXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClFNO2S/c1-18(9-10-2-4-11(15)5-3-10)21(19,20)12-6-7-14(17)13(16)8-12/h2-8H,9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide?
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 392.68 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 7937766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).