N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide

C22H23N3O4S — CID 55790694

IUPACN-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCn1c(=O)cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H23N3O4S/c1-24-20-10-6-5-9-18(20)19(15-21(24)26)22(27)25-13-11-16(12-14-25)23-30(28,29)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3
InChIKeyWJSARVSJZYWAHS-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.12
Rot. Bonds4

About N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide

N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 55790694) has the molecular formula C22H23N3O4S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
PubChem CID55790694
Molecular FormulaC22H23N3O4S
Molecular Weight425.51 g/mol
Exact Mass425.14
IUPAC NameN-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide
SMILESCn1c(=O)cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H23N3O4S/c1-24-20-10-6-5-9-18(20)19(15-21(24)26)22(27)25-13-11-16(12-14-25)23-30(28,29)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3
InChIKeyWJSARVSJZYWAHS-UHFFFAOYSA-N
XLogP2.12
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-morpholin-4-ylsulfonylpiperazine-1-carbonyl)quinolin-2-one
CID 46979096
N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 30854687
2-[4-(1-methyl-2-oxoquinoline-4-carbonyl)piperazin-1-yl]-2-oxo-N-propan-2-ylacetamide
CID 55759278
4-tert-butyl-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]benzenesulfonamide
CID 108564360
N-[1-(2-nitrobenzoyl)piperidin-4-yl]benzenesulfonamide
CID 41470065
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
N-(5-methyl-1,2-oxazol-3-yl)-1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55758260
(2R)-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370801
4-[(3S)-3-aminoazepane-1-carbonyl]-1-methylquinolin-2-one
CID 96574654
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
N-[1-(5-methyl-1-phenylpyrazole-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 55790604
N-[1-(4-acetyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 41470534

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide (CID 55790694) is N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide is Cn1c(=O)cc(C(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)c2ccccc21.
What is the InChIKey of N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is WJSARVSJZYWAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S/c1-24-20-10-6-5-9-18(20)19(15-21(24)26)22(27)25-13-11-16(12-14-25)23-30(28,29)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3.
What are the key properties of N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide?
N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 425.51 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methyl-2-oxoquinoline-4-carbonyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55790694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).