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

C14H13ClFNO3S — CID 25039269

IUPAC3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO3S/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
InChIKeyLILAITPEHREIFP-UHFFFAOYSA-N
MW329.78 g/mol
LogP2.97
Rot. Bonds5

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

3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (PubChem CID 25039269) has the molecular formula C14H13ClFNO3S and a molecular weight of 329.78 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
PubChem CID25039269
Molecular FormulaC14H13ClFNO3S
Molecular Weight329.78 g/mol
Exact Mass329.03
IUPAC Name3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFNO3S/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
InChIKeyLILAITPEHREIFP-UHFFFAOYSA-N
XLogP2.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-fluoro-3-methoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 7574386
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
3-chloro-4-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]benzenesulfonamide
CID 24581072
4-chloro-2-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948090
N-[(3,4-dichlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 897393
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
4-amino-3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 115330027
2-chloro-N-[2-fluoro-4-[(4-methoxyphenyl)methylsulfamoyl]phenyl]benzamide
CID 18892919
4-[[(3-chloro-4-fluorophenyl)sulfonylamino]methyl]-N-(3-methoxypropyl)benzamide
CID 17480377
3-amino-4-chloro-N-[(3-chloro-4-fluorophenyl)methyl]benzenesulfonamide
CID 62539057
2,6-dichloro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948085

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide (CID 25039269) is 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is LILAITPEHREIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO3S/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-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide?
3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 329.78 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[(4-methoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 25039269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).