4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide

C16H18N4O2S — CID 56748182

IUPAC4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(C(C)C)nc(N)c2C#N)cc1
InChIInChI=1S/C16H18N4O2S/c1-10(2)15-8-13(14(9-17)16(18)20-15)11-4-6-12(7-5-11)23(21,22)19-3/h4-8,10,19H,1-3H3,(H2,18,20)
InChIKeyFVUYJUJQYVTESX-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.23
Rot. Bonds4

About 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide

4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide (PubChem CID 56748182) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide
PubChem CID56748182
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(C(C)C)nc(N)c2C#N)cc1
InChIInChI=1S/C16H18N4O2S/c1-10(2)15-8-13(14(9-17)16(18)20-15)11-4-6-12(7-5-11)23(21,22)19-3/h4-8,10,19H,1-3H3,(H2,18,20)
InChIKeyFVUYJUJQYVTESX-UHFFFAOYSA-N
XLogP2.23
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide (CID 56748182) is 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cc(C(C)C)nc(N)c2C#N)cc1.
What is the InChIKey of 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide?
The InChIKey is FVUYJUJQYVTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(2)15-8-13(14(9-17)16(18)20-15)11-4-6-12(7-5-11)23(21,22)19-3/h4-8,10,19H,1-3H3,(H2,18,20).
What are the key properties of 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide?
4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyano-6-propan-2-yl-4-pyridinyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 56748182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).