3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide

C14H12ClF2NO2S — CID 24581072

IUPAC3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C14H12ClF2NO2S/c1-9-6-10(2-4-13(9)16)8-18-21(19,20)11-3-5-14(17)12(15)7-11/h2-7,18H,8H2,1H3
InChIKeyGNJMSMUKSPSJQD-UHFFFAOYSA-N
MW331.77 g/mol
LogP3.41
Rot. Bonds4

About 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide

3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide (PubChem CID 24581072) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
PubChem CID24581072
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC Name3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
SMILESCc1cc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C14H12ClF2NO2S/c1-9-6-10(2-4-13(9)16)8-18-21(19,20)11-3-5-14(17)12(15)7-11/h2-7,18H,8H2,1H3
InChIKeyGNJMSMUKSPSJQD-UHFFFAOYSA-N
XLogP3.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 18131225
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
3-chloro-N-[(4-chloro-2-methylphenyl)methyl]-4-fluorobenzenesulfonamide
CID 3830698
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 25039269
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 3752569
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 33040103
3-chloro-N-[(2-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 3348028
3-chloro-N-[(2,5-difluorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 25047062
N-[(4-fluoro-3-methylphenyl)methyl]-3-nitrobenzenesulfonamide
CID 110779741

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide (CID 24581072) is 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide is Cc1cc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)ccc1F.
What is the InChIKey of 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is GNJMSMUKSPSJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c1-9-6-10(2-4-13(9)16)8-18-21(19,20)11-3-5-14(17)12(15)7-11/h2-7,18H,8H2,1H3.
What are the key properties of 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 24581072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).