N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H12ClF2NO2S — CID 107528083

IUPACN-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H12ClF2NO2S/c1-8-5-11(17)6-9(2)14(8)21(19,20)18-13-7-10(16)3-4-12(13)15/h3-7,18H,1-2H3
InChIKeySNTXUUWXPIEMLM-UHFFFAOYSA-N
MW331.77 g/mol
LogP4.04
Rot. Bonds3

About N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107528083) has the molecular formula C14H12ClF2NO2S and a molecular weight of 331.77 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107528083
Molecular FormulaC14H12ClF2NO2S
Molecular Weight331.77 g/mol
Exact Mass331.02
IUPAC NameN-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1Cl
InChIInChI=1S/C14H12ClF2NO2S/c1-8-5-11(17)6-9(2)14(8)21(19,20)18-13-7-10(16)3-4-12(13)15/h3-7,18H,1-2H3
InChIKeySNTXUUWXPIEMLM-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.77
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
4-[(2-chloro-5-fluorophenyl)sulfamoyl]-5-methyl-1H-pyrazole-3-carboxylic acid
CID 107526946
N-(2-chloro-5-fluorophenyl)ethanesulfonamide
CID 107531524
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
N-(2-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 47148910
N-(3,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326533
N-(2-bromo-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327344
4-chloro-3-[(4-fluoro-2-methylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000293
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 8500581

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107528083) is N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1Cl.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is SNTXUUWXPIEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2NO2S/c1-8-5-11(17)6-9(2)14(8)21(19,20)18-13-7-10(16)3-4-12(13)15/h3-7,18H,1-2H3.
What are the key properties of N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 331.77 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107528083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).