N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide

C14H13ClFNO2S — CID 793232

IUPACN-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H13ClFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-11-5-6-13(16)12(15)8-11/h3-8,17H,1-2H3
InChIKeyDDHVDDFDVVNPSY-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.90
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide

N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 793232) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID793232
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C14H13ClFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-11-5-6-13(16)12(15)8-11/h3-8,17H,1-2H3
InChIKeyDDHVDDFDVVNPSY-UHFFFAOYSA-N
XLogP3.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
2-chloro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 32673670
3-amino-N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 79885675
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 984233
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-(3-chloro-4-methylphenyl)-2,5-difluorobenzenesulfonamide
CID 9234950
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzenesulfonamide
CID 8523375
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (CID 793232) is N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is DDHVDDFDVVNPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-11-5-6-13(16)12(15)8-11/h3-8,17H,1-2H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 313.78 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 793232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).