3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide

C8H9ClFNO2S — CID 697776

IUPAC3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3
InChIKeyZXYMYAGGEHXBMR-UHFFFAOYSA-N
MW237.68 g/mol
LogP1.73
Rot. Bonds2

About 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide

3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide (PubChem CID 697776) has the molecular formula C8H9ClFNO2S and a molecular weight of 237.68 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
PubChem CID697776
Molecular FormulaC8H9ClFNO2S
Molecular Weight237.68 g/mol
Exact Mass237.00
IUPAC Name3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C8H9ClFNO2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3
InChIKeyZXYMYAGGEHXBMR-UHFFFAOYSA-N
XLogP1.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
N-(2-aminoethyl)-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 62685889
3-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937737
N-[(4-bromophenyl)methyl]-3-chloro-4-fluoro-N-methylbenzenesulfonamide
CID 7937766
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
3-chloro-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
CID 47113430
1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
N-butyl-3-chloro-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61448131
N-(4-chlorophenyl)sulfonyl-5-(dimethylsulfamoyl)-2-fluorobenzamide
CID 110166676
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide (CID 697776) is 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZXYMYAGGEHXBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO2S/c1-11(2)14(12,13)6-3-4-8(10)7(9)5-6/h3-5H,1-2H3.
What are the key properties of 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide?
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide has a molecular weight of 237.68 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 697776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).