N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide

C15H19N3O2S — CID 62149101

IUPACN-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-3-9-16-15-14(8-5-10-17-15)21(19,20)18-13-7-4-6-12(2)11-13/h4-8,10-11,18H,3,9H2,1-2H3,(H,16,17)
InChIKeySAJSDNYSABXCAY-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.01
Rot. Bonds6

About N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide

N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide (PubChem CID 62149101) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
PubChem CID62149101
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ncccc1S(=O)(=O)Nc1cccc(C)c1
InChIInChI=1S/C15H19N3O2S/c1-3-9-16-15-14(8-5-10-17-15)21(19,20)18-13-7-4-6-12(2)11-13/h4-8,10-11,18H,3,9H2,1-2H3,(H,16,17)
InChIKeySAJSDNYSABXCAY-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide (CID 62149101) is N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide is CCCNc1ncccc1S(=O)(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide?
The InChIKey is SAJSDNYSABXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-9-16-15-14(8-5-10-17-15)21(19,20)18-13-7-4-6-12(2)11-13/h4-8,10-11,18H,3,9H2,1-2H3,(H,16,17).
What are the key properties of N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide?
N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62149101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).