4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide

C13H11ClFNO3S — CID 110776607

IUPAC4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClFNO3S/c1-19-13-7-4-10(15)8-12(13)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyVGXHKEJPYZNJLI-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.29
Rot. Bonds4

About 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide

4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide (PubChem CID 110776607) has the molecular formula C13H11ClFNO3S and a molecular weight of 315.75 g/mol. Its IUPAC name is 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
PubChem CID110776607
Molecular FormulaC13H11ClFNO3S
Molecular Weight315.75 g/mol
Exact Mass315.01
IUPAC Name4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H11ClFNO3S/c1-19-13-7-4-10(15)8-12(13)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3
InChIKeyVGXHKEJPYZNJLI-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776651
N-(5-tert-butyl-2-methoxyphenyl)-4-chlorobenzenesulfonamide
CID 7940797
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
4-fluoro-N-[2-methoxy-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3463733
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
N-(5-acetyl-2-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 82156500
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
5-chloro-N-[2-(dimethylamino)-5-fluorophenyl]-2-methoxybenzenesulfonamide
CID 113092578
N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide (CID 110776607) is 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide is COc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide?
The InChIKey is VGXHKEJPYZNJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFNO3S/c1-19-13-7-4-10(15)8-12(13)16-20(17,18)11-5-2-9(14)3-6-11/h2-8,16H,1H3.
What are the key properties of 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide?
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide has a molecular weight of 315.75 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 110776607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).