(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide

C17H19ClN4O3S — CID 129002587

IUPAC(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)/C=C/c2ccccc2Cl)C1=O
InChIInChI=1S/C17H19ClN4O3S/c1-21-16(8-10-19-21)22-11-4-7-15(17(22)23)20-26(24,25)12-9-13-5-2-3-6-14(13)18/h2-3,5-6,8-10,12,15,20H,4,7,11H2,1H3/b12-9+
InChIKeyRZTKZIFWZQGSLR-FMIVXFBMSA-N
MW394.88 g/mol
LogP2.16
Rot. Bonds5

About (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide

(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide (PubChem CID 129002587) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
PubChem CID129002587
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
SMILESCn1nccc1N1CCCC(NS(=O)(=O)/C=C/c2ccccc2Cl)C1=O
InChIInChI=1S/C17H19ClN4O3S/c1-21-16(8-10-19-21)22-11-4-7-15(17(22)23)20-26(24,25)12-9-13-5-2-3-6-14(13)18/h2-3,5-6,8-10,12,15,20H,4,7,11H2,1H3/b12-9+
InChIKeyRZTKZIFWZQGSLR-FMIVXFBMSA-N
XLogP2.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
1-(2,6-difluorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 128999468
1-(1,2-benzoxazol-3-yl)-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129326979
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxolan-2-yl)methanesulfonamide
CID 129003523
1-(3-cyanophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129000207
6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129327545
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-2-sulfonamide
CID 129327661
(3R)-3-[[ethyl(methyl)sulfamoyl]amino]-1-(2-ethylpyrazol-3-yl)-2-oxopiperidine
CID 129399889
5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
CID 129399904
1-[[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122011576

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide?
The IUPAC name of (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide (CID 129002587) is (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide?
The canonical SMILES for (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide is Cn1nccc1N1CCCC(NS(=O)(=O)/C=C/c2ccccc2Cl)C1=O.
What is the InChIKey of (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide?
The InChIKey is RZTKZIFWZQGSLR-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c1-21-16(8-10-19-21)22-11-4-7-15(17(22)23)20-26(24,25)12-9-13-5-2-3-6-14(13)18/h2-3,5-6,8-10,12,15,20H,4,7,11H2,1H3/b12-9+.
What are the key properties of (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide?
(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide is sourced from PubChem (CID 129002587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).