N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide

C19H16N4O2S — CID 71579868

IUPACN-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide
SMILESCc1cc(N)nc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C19H16N4O2S/c1-13-10-18(21)22-19(11-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-11H,1H3,(H3,21,22,23)
InChIKeyXRGIKGDSURWPTL-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.31
Rot. Bonds4

About N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide

N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide (PubChem CID 71579868) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide
PubChem CID71579868
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide
SMILESCc1cc(N)nc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)c1
InChIInChI=1S/C19H16N4O2S/c1-13-10-18(21)22-19(11-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-11H,1H3,(H3,21,22,23)
InChIKeyXRGIKGDSURWPTL-UHFFFAOYSA-N
XLogP3.31
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
The IUPAC name of N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide (CID 71579868) is N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide.
What is the SMILES notation for N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
The canonical SMILES for N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide is Cc1cc(N)nc(NS(=O)(=O)c2ccc(-c3ccc(C#N)cc3)cc2)c1.
What is the InChIKey of N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
The InChIKey is XRGIKGDSURWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-13-10-18(21)22-19(11-13)23-26(24,25)17-8-6-16(7-9-17)15-4-2-14(12-20)3-5-15/h2-11H,1H3,(H3,21,22,23).
What are the key properties of N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide?
N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methyl-2-pyridinyl)-4-(4-cyanophenyl)benzenesulfonamide is sourced from PubChem (CID 71579868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).