N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide

C14H12ClF2NO3S — CID 8523503

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2NO3S/c1-8-5-12(13(21-2)7-10(8)15)18-22(19,20)14-4-3-9(16)6-11(14)17/h3-7,18H,1-2H3
InChIKeyXCERUJMTJNJBFX-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.74
Rot. Bonds4

About N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide (PubChem CID 8523503) has the molecular formula C14H12ClF2NO3S and a molecular weight of 347.77 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
PubChem CID8523503
Molecular FormulaC14H12ClF2NO3S
Molecular Weight347.77 g/mol
Exact Mass347.02
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide
SMILESCOc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C14H12ClF2NO3S/c1-8-5-12(13(21-2)7-10(8)15)18-22(19,20)14-4-3-9(16)6-11(14)17/h3-7,18H,1-2H3
InChIKeyXCERUJMTJNJBFX-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2,3,4-trifluorobenzenesulfonamide
CID 8523518
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
5-tert-butyl-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methylbenzenesulfonamide
CID 7940782
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
4-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 60641377
4-chloro-N-[(2,5-difluorophenyl)methyl]-2-methoxy-5-methylaniline
CID 43312549
N-(4-chloro-2-methoxy-5-methylphenyl)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822841
N-(4-chloro-2-methoxy-5-methylphenyl)thiophene-2-sulfonamide
CID 8523500
N-(4-chloro-2-methoxy-5-methylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 30156649
dimethyl 2-[(4-chloro-2-methoxy-5-methylphenyl)sulfamoyl]benzene-1,4-dicarboxylate
CID 29424922
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide (CID 8523503) is N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide is COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is XCERUJMTJNJBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO3S/c1-8-5-12(13(21-2)7-10(8)15)18-22(19,20)14-4-3-9(16)6-11(14)17/h3-7,18H,1-2H3.
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 347.77 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 8523503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).