6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide

C15H18N2O3S — CID 43629384

IUPAC6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H18N2O3S/c1-12(7-8-13-5-3-2-4-6-13)17-21(19,20)14-9-10-15(18)16-11-14/h2-6,9-12,17H,7-8H2,1H3,(H,16,18)
InChIKeyCBYFXLOLBQNSCW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.67
Rot. Bonds6

About 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide

6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide (PubChem CID 43629384) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
PubChem CID43629384
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide
SMILESCC(CCc1ccccc1)NS(=O)(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C15H18N2O3S/c1-12(7-8-13-5-3-2-4-6-13)17-21(19,20)14-9-10-15(18)16-11-14/h2-6,9-12,17H,7-8H2,1H3,(H,16,18)
InChIKeyCBYFXLOLBQNSCW-UHFFFAOYSA-N
XLogP1.67
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-6-oxo-1H-pyridine-3-sulfonamide
CID 61248919
N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64605936
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629090
4-(2,5-dioxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 133164761
6-chloro-N-[(2S)-4-phenylbutan-2-yl]pyridine-3-sulfonamide
CID 7510271
4-fluoro-3-methyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 100695385
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
3-N-[(2S)-4-phenylbutan-2-yl]benzene-1,3-disulfonamide
CID 31700846
3-fluoro-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 40654245
3-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,3-benzoxazole-5-sulfonamide
CID 146025056

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide?
The IUPAC name of 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide (CID 43629384) is 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide?
The canonical SMILES for 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide is CC(CCc1ccccc1)NS(=O)(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide?
The InChIKey is CBYFXLOLBQNSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-12(7-8-13-5-3-2-4-6-13)17-21(19,20)14-9-10-15(18)16-11-14/h2-6,9-12,17H,7-8H2,1H3,(H,16,18).
What are the key properties of 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide?
6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(4-phenylbutan-2-yl)-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 43629384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).