4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide

C15H19N3O3S — CID 86790643

IUPAC4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCCn2ccccc2=O)cc1
InChIInChI=1S/C15H19N3O3S/c16-13-6-8-14(9-7-13)22(20,21)17-10-2-4-12-18-11-3-1-5-15(18)19/h1,3,5-9,11,17H,2,4,10,12,16H2
InChIKeyXSSJWCGKTHVONA-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.19
Rot. Bonds7

About 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide

4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide (PubChem CID 86790643) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide
PubChem CID86790643
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCCCn2ccccc2=O)cc1
InChIInChI=1S/C15H19N3O3S/c16-13-6-8-14(9-7-13)22(20,21)17-10-2-4-12-18-11-3-1-5-15(18)19/h1,3,5-9,11,17H,2,4,10,12,16H2
InChIKeyXSSJWCGKTHVONA-UHFFFAOYSA-N
XLogP1.19
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[3-(2-oxo-1-pyridinyl)propyl]benzenesulfonamide
CID 60530993
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425
4-amino-N-[2-[2-[(4-aminophenyl)sulfonylamino]ethylsulfonyl]ethyl]benzenesulfonamide
CID 141378845
4-amino-N-(2-bromoethyl)benzenesulfonamide
CID 125484136
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
4-methyl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71053685
(2S)-2-amino-4-[(4-aminophenyl)sulfonylamino]butanoic acid
CID 67154285
4-propan-2-yl-N-(3-pyrrol-1-ylpropyl)benzenesulfonamide
CID 71079087
4-(3-pyrrol-1-ylpropylsulfamoyl)benzoic acid
CID 110721138
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide (CID 86790643) is 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCCCn2ccccc2=O)cc1.
What is the InChIKey of 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide?
The InChIKey is XSSJWCGKTHVONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c16-13-6-8-14(9-7-13)22(20,21)17-10-2-4-12-18-11-3-1-5-15(18)19/h1,3,5-9,11,17H,2,4,10,12,16H2.
What are the key properties of 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide?
4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(2-oxo-1-pyridinyl)butyl]benzenesulfonamide is sourced from PubChem (CID 86790643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).