N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide

C13H10ClF2NO3S — CID 119041012

IUPACN-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C13H10ClF2NO3S/c1-20-13-7-9(3-5-12(13)16)21(18,19)17-8-2-4-11(15)10(14)6-8/h2-7,17H,1H3
InChIKeyJSJAVDIJOVTBRC-UHFFFAOYSA-N
MW333.74 g/mol
LogP3.43
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 119041012) has the molecular formula C13H10ClF2NO3S and a molecular weight of 333.74 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID119041012
Molecular FormulaC13H10ClF2NO3S
Molecular Weight333.74 g/mol
Exact Mass333.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1F
InChIInChI=1S/C13H10ClF2NO3S/c1-20-13-7-9(3-5-12(13)16)21(18,19)17-8-2-4-11(15)10(14)6-8/h2-7,17H,1H3
InChIKeyJSJAVDIJOVTBRC-UHFFFAOYSA-N
XLogP3.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 8501064
N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 119041012) is N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)ccc1F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is JSJAVDIJOVTBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3S/c1-20-13-7-9(3-5-12(13)16)21(18,19)17-8-2-4-11(15)10(14)6-8/h2-7,17H,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 333.74 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 119041012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).