N-benzyl-6-(propylamino)pyridine-3-sulfonamide

C15H19N3O2S — CID 62148374

IUPACN-benzyl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-2-10-16-15-9-8-14(12-17-15)21(19,20)18-11-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3,(H,16,17)
InChIKeyQBEUYQCKYKWMBD-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds7

About N-benzyl-6-(propylamino)pyridine-3-sulfonamide

N-benzyl-6-(propylamino)pyridine-3-sulfonamide (PubChem CID 62148374) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-benzyl-6-(propylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-benzyl-6-(propylamino)pyridine-3-sulfonamide
PubChem CID62148374
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-benzyl-6-(propylamino)pyridine-3-sulfonamide
SMILESCCCNc1ccc(S(=O)(=O)NCc2ccccc2)cn1
InChIInChI=1S/C15H19N3O2S/c1-2-10-16-15-9-8-14(12-17-15)21(19,20)18-11-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3,(H,16,17)
InChIKeyQBEUYQCKYKWMBD-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158845
6-(ethylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62150311
N-[(4-bromophenyl)methyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 62150157
N-(2-iodophenyl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143908
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62158645
N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 104765369
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6-(propylamino)pyridine-3-sulfonamide
CID 106383315
N-(3-methylbutan-2-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62143390
6-(ethylamino)-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 62147749
N-[2-(2-methoxyethoxy)ethyl]-6-(propylamino)pyridine-3-sulfonamide
CID 62157283
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(propylamino)pyridine-3-sulfonamide?
The IUPAC name of N-benzyl-6-(propylamino)pyridine-3-sulfonamide (CID 62148374) is N-benzyl-6-(propylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-benzyl-6-(propylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-benzyl-6-(propylamino)pyridine-3-sulfonamide is CCCNc1ccc(S(=O)(=O)NCc2ccccc2)cn1.
What is the InChIKey of N-benzyl-6-(propylamino)pyridine-3-sulfonamide?
The InChIKey is QBEUYQCKYKWMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-10-16-15-9-8-14(12-17-15)21(19,20)18-11-13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3,(H,16,17).
What are the key properties of N-benzyl-6-(propylamino)pyridine-3-sulfonamide?
N-benzyl-6-(propylamino)pyridine-3-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(propylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62148374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).