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

C14H12Cl2FNO2S — CID 167828829

IUPAC4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(Cl)cc2F)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-9-7-11(4-5-12(9)16)21(19,20)18(2)14-6-3-10(15)8-13(14)17/h3-8H,1-2H3
InChIKeyQZXBTHNEZMWEFB-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.27
Rot. Bonds3

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

4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide (PubChem CID 167828829) has the molecular formula C14H12Cl2FNO2S and a molecular weight of 348.23 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
PubChem CID167828829
Molecular FormulaC14H12Cl2FNO2S
Molecular Weight348.23 g/mol
Exact Mass346.99
IUPAC Name4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccc(Cl)cc2F)ccc1Cl
InChIInChI=1S/C14H12Cl2FNO2S/c1-9-7-11(4-5-12(9)16)21(19,20)18(2)14-6-3-10(15)8-13(14)17/h3-8H,1-2H3
InChIKeyQZXBTHNEZMWEFB-UHFFFAOYSA-N
XLogP4.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
N-(4-chloro-2-methylphenyl)-N-methylnaphthalene-2-sulfonamide
CID 100532875
N-(2,4-difluorophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 3853010
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776
4-chloro-N-(2-hydroxyethyl)-N,3-dimethylbenzenesulfonamide
CID 39363651
5-[(2,4-dimethylphenyl)-methylsulfamoyl]-2-fluorobenzoic acid
CID 71890309
3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697429
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
N-(2,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 3746925
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 100508280
4-chloro-N-(2-cyanoethyl)-N,3-dimethylbenzenesulfonamide
CID 39371978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide (CID 167828829) is 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccc(Cl)cc2F)ccc1Cl.
What is the InChIKey of 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
The InChIKey is QZXBTHNEZMWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO2S/c1-9-7-11(4-5-12(9)16)21(19,20)18(2)14-6-3-10(15)8-13(14)17/h3-8H,1-2H3.
What are the key properties of 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide?
4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide has a molecular weight of 348.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-fluorophenyl)-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 167828829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).