3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide

C13H10ClF2NO3S — CID 2227762

IUPAC3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C13H10ClF2NO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-8-2-4-11(15)12(16)6-8/h2-7,17H,1H3
InChIKeyWCLUYDXOSFFFQJ-UHFFFAOYSA-N
MW333.74 g/mol
LogP3.43
Rot. Bonds4

About 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide

3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 2227762) has the molecular formula C13H10ClF2NO3S and a molecular weight of 333.74 g/mol. Its IUPAC name is 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID2227762
Molecular FormulaC13H10ClF2NO3S
Molecular Weight333.74 g/mol
Exact Mass333.00
IUPAC Name3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1Cl
InChIInChI=1S/C13H10ClF2NO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-8-2-4-11(15)12(16)6-8/h2-7,17H,1H3
InChIKeyWCLUYDXOSFFFQJ-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

4-Chloro-2'-methoxybenzenesulfonanilide
CID 310128
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
5-chloro-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 839358
N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 770818
N-(3-chlorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 3236356
3,5-dichloro-2,4,6-trifluoro-N-(4-methoxyphenyl)benzenesulfonamide
CID 10340088
N-(3-chloro-4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 768965
3-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 889795
N-(2,6-difluorophenyl)-4-methoxybenzenesulfonamide
CID 956518
4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1259343
N-(4-Chlorophenyl)-4-methoxybenzenesulfonamide
CID 598671
N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 711138

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide (CID 2227762) is 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1Cl.
What is the InChIKey of 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is WCLUYDXOSFFFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-8-2-4-11(15)12(16)6-8/h2-7,17H,1H3.
What are the key properties of 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide?
3-chloro-N-(3,4-difluorophenyl)-4-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 3-chloro-N-(3,4-difluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2227762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).