N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide

C13H19N3O3S — CID 62092881

IUPACN-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCCNC2=O)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-15-20(18,19)11-7-5-10(6-8-11)16-12-4-3-9-14-13(12)17/h5-8,12,15-16H,2-4,9H2,1H3,(H,14,17)
InChIKeyGTJMTGCRMKWDQA-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.68
Rot. Bonds5

About N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide

N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide (PubChem CID 62092881) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide
PubChem CID62092881
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NC2CCCNC2=O)cc1
InChIInChI=1S/C13H19N3O3S/c1-2-15-20(18,19)11-7-5-10(6-8-11)16-12-4-3-9-14-13(12)17/h5-8,12,15-16H,2-4,9H2,1H3,(H,14,17)
InChIKeyGTJMTGCRMKWDQA-UHFFFAOYSA-N
XLogP0.68
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopropylamino)-N-ethylbenzenesulfonamide
CID 43453953
3-(4-fluoroanilino)azepan-2-one
CID 42940986
3-[4-(trifluoromethyl)anilino]piperidin-2-one
CID 62648784
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
N-ethyl-4-(oxan-4-ylamino)benzenesulfonamide
CID 43610408
N-(2-oxopiperidin-3-yl)-6-(propylamino)pyridine-3-sulfonamide
CID 62145648
(2R)-N-[4-(ethylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 103795165
N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 49457209
4-(2-aminoethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79185146
N-[(3S)-2-oxopiperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 54761931
N-ethyl-4-[methyl(pyrrolidin-2-ylmethyl)amino]benzenesulfonamide
CID 106618597
4-(cyanomethyl)-N-(2-oxopiperidin-3-yl)benzenesulfonamide
CID 79195462

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide (CID 62092881) is N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(NC2CCCNC2=O)cc1.
What is the InChIKey of N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide?
The InChIKey is GTJMTGCRMKWDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-2-15-20(18,19)11-7-5-10(6-8-11)16-12-4-3-9-14-13(12)17/h5-8,12,15-16H,2-4,9H2,1H3,(H,14,17).
What are the key properties of N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide?
N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide has a molecular weight of 297.38 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-oxopiperidin-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 62092881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).