3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide

C14H12ClN3O2S — CID 115687718

IUPAC3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)n1
InChIInChI=1S/C14H12ClN3O2S/c1-9-3-6-14(10(2)17-9)18-21(19,20)12-5-4-11(8-16)13(15)7-12/h3-7,18H,1-2H3
InChIKeyIPTLGTDVTLVILB-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.02
Rot. Bonds3

About 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide

3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide (PubChem CID 115687718) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
PubChem CID115687718
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC Name3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)n1
InChIInChI=1S/C14H12ClN3O2S/c1-9-3-6-14(10(2)17-9)18-21(19,20)12-5-4-11(8-16)13(15)7-12/h3-7,18H,1-2H3
InChIKeyIPTLGTDVTLVILB-UHFFFAOYSA-N
XLogP3.02
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-chloro-4-methylphenyl)-4-cyanobenzenesulfonamide
CID 115588624
3-chloro-N-(2-chlorophenyl)-4-cyanobenzenesulfonamide
CID 47309083
3-chloro-4-cyano-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzenesulfonamide
CID 104826727
N-(2-bromo-4-chlorophenyl)-3-chloro-4-cyanobenzenesulfonamide
CID 115701867
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
3-chloro-4-cyano-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 115698046
3-chloro-4-cyano-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 115588612
3-chloro-4-cyano-N-(2-fluorophenyl)benzenesulfonamide
CID 47309192
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-(2,5-difluorophenyl)benzenesulfonamide
CID 115588628
N-(4-bromo-2-chlorophenyl)-4-cyano-3-methylbenzenesulfonamide
CID 106831780
4-chloro-3-cyano-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 75521913

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide (CID 115687718) is 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c(C)n1.
What is the InChIKey of 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is IPTLGTDVTLVILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-9-3-6-14(10(2)17-9)18-21(19,20)12-5-4-11(8-16)13(15)7-12/h3-7,18H,1-2H3.
What are the key properties of 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide?
3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 321.79 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-cyano-N-(2,6-dimethyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 115687718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).