4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide

C15H14ClF2NO3S — CID 22206102

IUPAC4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)c(C)cc1Cl
InChIInChI=1S/C15H14ClF2NO3S/c1-9-8-14(10(2)7-11(9)16)23(20,21)19-12-5-3-4-6-13(12)22-15(17)18/h3-8,15,19H,1-2H3
InChIKeySFYUMINLOGTBQJ-UHFFFAOYSA-N
MW361.80 g/mol
LogP4.36
Rot. Bonds5

About 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide

4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 22206102) has the molecular formula C15H14ClF2NO3S and a molecular weight of 361.80 g/mol. Its IUPAC name is 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID22206102
Molecular FormulaC15H14ClF2NO3S
Molecular Weight361.80 g/mol
Exact Mass361.04
IUPAC Name4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)c(C)cc1Cl
InChIInChI=1S/C15H14ClF2NO3S/c1-9-8-14(10(2)7-11(9)16)23(20,21)19-12-5-3-4-6-13(12)22-15(17)18/h3-8,15,19H,1-2H3
InChIKeySFYUMINLOGTBQJ-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-ethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 22774232
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817
4-chloro-2,5-dimethyl-N-(2-phenylphenyl)benzenesulfonamide
CID 19684190
4-chloro-N-(2,4-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 3783398
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
CID 8504785
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
4-chloro-N-(4-methoxy-2-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22202576
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide (CID 22206102) is 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)c(C)cc1Cl.
What is the InChIKey of 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is SFYUMINLOGTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO3S/c1-9-8-14(10(2)7-11(9)16)23(20,21)19-12-5-3-4-6-13(12)22-15(17)18/h3-8,15,19H,1-2H3.
What are the key properties of 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide?
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 361.80 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 22206102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).