N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide

C14H14N4O2S — CID 106996490

IUPACN-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(N)cc1C
InChIInChI=1S/C14H14N4O2S/c1-9-5-11(7-15)3-4-13(9)21(19,20)18-14-10(2)6-12(16)8-17-14/h3-6,8H,16H2,1-2H3,(H,17,18)
InChIKeySFWGMKIVXVRRIF-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.95
Rot. Bonds3

About N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide

N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide (PubChem CID 106996490) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
PubChem CID106996490
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(N)cc1C
InChIInChI=1S/C14H14N4O2S/c1-9-5-11(7-15)3-4-13(9)21(19,20)18-14-10(2)6-12(16)8-17-14/h3-6,8H,16H2,1-2H3,(H,17,18)
InChIKeySFWGMKIVXVRRIF-UHFFFAOYSA-N
XLogP1.95
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-3-methyl-2-pyridinyl)-3-cyanobenzenesulfonamide
CID 115910806
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide
CID 106999202
4-amino-N-(4-cyanophenyl)-2-methylbenzenesulfonamide
CID 43257695
4-amino-N-(2-chloro-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 107806959
N-(3-amino-4-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996459
N-(2-aminophenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996452
N-(5-amino-3-methyl-2-pyridinyl)-2,5-dichlorobenzenesulfonamide
CID 115910815
4-cyano-N-(2-hydroxy-6-methylphenyl)-2-methylbenzenesulfonamide
CID 103930776
N-[2-(4-aminopyrazol-1-yl)ethyl]-4-cyano-2-methylbenzenesulfonamide
CID 106996486
N-(2-bromo-5-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 103866062
N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 115910794

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide (CID 106996490) is N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)Nc1ncc(N)cc1C.
What is the InChIKey of N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
The InChIKey is SFWGMKIVXVRRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-9-5-11(7-15)3-4-13(9)21(19,20)18-14-10(2)6-12(16)8-17-14/h3-6,8H,16H2,1-2H3,(H,17,18).
What are the key properties of N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide?
N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-3-methyl-2-pyridinyl)-4-cyano-2-methylbenzenesulfonamide is sourced from PubChem (CID 106996490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).