N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide

C17H22N2O3S — CID 71660102

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide
SMILESCCCCn1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C17H22N2O3S/c1-4-5-11-19-14(3)13(2)12-16(17(19)20)18-23(21,22)15-9-7-6-8-10-15/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyXYVWKLJMYBUTNJ-UHFFFAOYSA-N
MW334.44 g/mol
LogP3.07
Rot. Bonds6

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 71660102) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID71660102
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide
SMILESCCCCn1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1=O
InChIInChI=1S/C17H22N2O3S/c1-4-5-11-19-14(3)13(2)12-16(17(19)20)18-23(21,22)15-9-7-6-8-10-15/h6-10,12,18H,4-5,11H2,1-3H3
InChIKeyXYVWKLJMYBUTNJ-UHFFFAOYSA-N
XLogP3.07
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Benzyl-5-methyl-2-oxo-1,2-dihydro-pyridin-3-yl)-4-methyl-benzenesulfonamide
CID 3231708
N-[2-(4-acetyl-1-piperazinyl)-1,1-dimethylethyl]benzenesulfonamide
CID 1070175
2-methyl-1,1-dioxo-N-propyl-1lambda6,2-benzothiazine-3-carboxamide
CID 46870656
4-Methyl-N-{6-methyl-1-[2-(4-methyl-1,4-diazepan-1-YL)-2-oxoethyl]-2-oxo-1,2-dihydropyridin-3-YL}benzene-1-sulfonamide
CID 53161464
N,N-Diethyl-2-[6-methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]acetamide
CID 53161491
2-[3-(benzenesulfonamido)-6-methyl-2-oxo-1-pyridinyl]-N-cyclopentylacetamide
CID 91903351
5-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 7534242
2-(3-Benzenesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-YL)-N,N-dimethylacetamide
CID 53161423
2-(3-Benzenesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-YL)-N-benzyl-N-methylacetamide
CID 53161445
N-[6-methyl-1-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-2-oxo-3-pyridinyl]benzenesulfonamide
CID 53161450
"N-[6-methyl-2-oxo-1-(2-oxo-2-piperidinoethyl)-1,2-dihydro-3-pyridinyl]-1-benzenesulfonamide"
CID 53161453
2-[6-Methyl-3-(4-methylbenzenesulfonamido)-2-oxo-1,2-dihydropyridin-1-YL]-N-propylacetamide
CID 53161458

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide (CID 71660102) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide is CCCCn1c(C)c(C)cc(NS(=O)(=O)c2ccccc2)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is XYVWKLJMYBUTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-4-5-11-19-14(3)13(2)12-16(17(19)20)18-23(21,22)15-9-7-6-8-10-15/h6-10,12,18H,4-5,11H2,1-3H3.
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 334.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 71660102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).