N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide

C13H18N2O3S — CID 7636261

IUPACN-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)14-11-6-5-7-12(10-11)15-9-4-3-8-13(15)16/h5-7,10,14H,2-4,8-9H2,1H3
InChIKeyBRYIFTSRCHXTLW-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.97
Rot. Bonds4

About N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide

N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide (PubChem CID 7636261) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
PubChem CID7636261
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC NameN-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(N2CCCCC2=O)c1
InChIInChI=1S/C13H18N2O3S/c1-2-19(17,18)14-11-6-5-7-12(10-11)15-9-4-3-8-13(15)16/h5-7,10,14H,2-4,8-9H2,1H3
InChIKeyBRYIFTSRCHXTLW-UHFFFAOYSA-N
XLogP1.97
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636285
2-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636299
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
4-ethoxy-3-methyl-N-[3-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 39837582
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
3-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635918
N-[3-[3-[(4-methylphenyl)methyl]-2-oxo-1,3-diazinan-1-yl]phenyl]ethanesulfonamide
CID 46041032
2,3-dichloro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841870
5-chloro-N-[3-(2-oxopiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7636296
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
ethane;1-(3-ethylphenyl)piperidin-2-one
CID 171523765

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide (CID 7636261) is N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(N2CCCCC2=O)c1.
What is the InChIKey of N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
The InChIKey is BRYIFTSRCHXTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-19(17,18)14-11-6-5-7-12(10-11)15-9-4-3-8-13(15)16/h5-7,10,14H,2-4,8-9H2,1H3.
What are the key properties of N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide?
N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-oxopiperidin-1-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 7636261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).