N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide

C14H12ClN3O2S — CID 107266798

IUPACN-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C14H12ClN3O2S/c1-9-7-11(8-16)3-5-13(9)21(19,20)18-12-4-6-14(15)17-10(12)2/h3-7,18H,1-2H3
InChIKeySSZHJQKRMYNYFZ-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.02
Rot. Bonds3

About N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide

N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 107266798) has the molecular formula C14H12ClN3O2S and a molecular weight of 321.79 g/mol. Its IUPAC name is N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID107266798
Molecular FormulaC14H12ClN3O2S
Molecular Weight321.79 g/mol
Exact Mass321.03
IUPAC NameN-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)nc1C
InChIInChI=1S/C14H12ClN3O2S/c1-9-7-11(8-16)3-5-13(9)21(19,20)18-12-4-6-14(15)17-10(12)2/h3-7,18H,1-2H3
InChIKeySSZHJQKRMYNYFZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
CID 103907908
N-(2-bromo-4-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103773290
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
N-(2-bromo-3-chlorophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103522055
5-bromo-N-(6-chloro-2-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 107266690
N-(6-chloro-2-methyl-3-pyridinyl)-5-cyanothiophene-2-sulfonamide
CID 106273443
N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide
CID 106999202
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-[4-cyano-2-[(2-methylphenyl)sulfonylamino]phenyl]-2-methylbenzenesulfonamide
CID 118497699
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide (CID 107266798) is N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Cl)nc1C.
What is the InChIKey of N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is SSZHJQKRMYNYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S/c1-9-7-11(8-16)3-5-13(9)21(19,20)18-12-4-6-14(15)17-10(12)2/h3-7,18H,1-2H3.
What are the key properties of N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide 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 N-(6-chloro-2-methyl-3-pyridinyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 107266798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).