2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide

C15H19N3O2S — CID 62304235

IUPAC2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccnc(NC)c1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-3-14(12-7-5-4-6-8-12)18-21(19,20)13-9-10-17-15(11-13)16-2/h4-11,14,18H,3H2,1-2H3,(H,16,17)
InChIKeySCSGRXVZYYWCCF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.55
Rot. Bonds6

About 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide

2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide (PubChem CID 62304235) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
PubChem CID62304235
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1ccnc(NC)c1)c1ccccc1
InChIInChI=1S/C15H19N3O2S/c1-3-14(12-7-5-4-6-8-12)18-21(19,20)13-9-10-17-15(11-13)16-2/h4-11,14,18H,3H2,1-2H3,(H,16,17)
InChIKeySCSGRXVZYYWCCF-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(1-phenylbutyl)pyridine-4-sulfonamide
CID 61052003
2-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-sulfonamide
CID 55044390
2-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-4-sulfonamide
CID 61051592
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
N-heptan-2-yl-2-(methylamino)pyridine-4-sulfonamide
CID 55043089
N-[1-(diethylamino)propan-2-yl]-2-(methylamino)pyridine-4-sulfonamide
CID 62158114
2-(methylamino)-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62152785
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
4-phenoxy-N-(1-phenylpropyl)benzenesulfonamide
CID 43904422
2-(methylamino)-N-(2-propylphenyl)pyridine-4-sulfonamide
CID 62157255
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide?
The IUPAC name of 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide (CID 62304235) is 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide is CCC(NS(=O)(=O)c1ccnc(NC)c1)c1ccccc1.
What is the InChIKey of 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide?
The InChIKey is SCSGRXVZYYWCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-14(12-7-5-4-6-8-12)18-21(19,20)13-9-10-17-15(11-13)16-2/h4-11,14,18H,3H2,1-2H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide?
2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-phenylpropyl)pyridine-4-sulfonamide is sourced from PubChem (CID 62304235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).