N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H15ClFNO2S — CID 107326661

IUPACN-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cc(F)cc2C)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2S/c1-9-4-5-14(13(16)6-9)18-21(19,20)15-10(2)7-12(17)8-11(15)3/h4-8,18H,1-3H3
InChIKeyWOGJZSLYITZSNL-UHFFFAOYSA-N
MW327.81 g/mol
LogP4.21
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326661) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326661
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cc(F)cc2C)c(Cl)c1
InChIInChI=1S/C15H15ClFNO2S/c1-9-4-5-14(13(16)6-9)18-21(19,20)15-10(2)7-12(17)8-11(15)3/h4-8,18H,1-3H3
InChIKeyWOGJZSLYITZSNL-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
4-bromo-N-(2-bromo-4-methylphenyl)-2,6-dichlorobenzenesulfonamide
CID 28829086
N-(2-chloro-4-methylphenyl)-7-methyl-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 20913993
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 60971814
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
N-(2-chloro-4-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 62145281
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
3-amino-4-chloro-N-(2-chloro-4-methylphenyl)benzenesulfonamide
CID 28967482
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326661) is N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)cc(F)cc2C)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is WOGJZSLYITZSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c1-9-4-5-14(13(16)6-9)18-21(19,20)15-10(2)7-12(17)8-11(15)3/h4-8,18H,1-3H3.
What are the key properties of N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).