5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

C14H17ClN4O3S2 — CID 129399904

IUPAC5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILESCCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C14H17ClN4O3S2/c1-2-19-12(7-8-16-19)18-9-3-4-10(14(18)20)17-24(21,22)13-6-5-11(15)23-13/h5-8,10,17H,2-4,9H2,1H3/t10-/m0/s1
InChIKeyCBFMNHMLACBILK-JTQLQIEISA-N
MW388.90 g/mol
LogP2.09
Rot. Bonds5

About 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide

5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (PubChem CID 129399904) has the molecular formula C14H17ClN4O3S2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
PubChem CID129399904
Molecular FormulaC14H17ClN4O3S2
Molecular Weight388.90 g/mol
Exact Mass388.04
IUPAC Name5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide
SMILESCCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1=O
InChIInChI=1S/C14H17ClN4O3S2/c1-2-19-12(7-8-16-19)18-9-3-4-10(14(18)20)17-24(21,22)13-6-5-11(15)23-13/h5-8,10,17H,2-4,9H2,1H3/t10-/m0/s1
InChIKeyCBFMNHMLACBILK-JTQLQIEISA-N
XLogP2.09
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 129399900
(2R,6R)-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328061
6-cyano-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129002559
1-(3-cyanophenyl)-N-[(3R)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 129399893
N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-methylthiophene-3-carboxamide
CID 129488046
5-chloro-N-(2-oxoazepan-3-yl)thiophene-2-sulfonamide
CID 25042934
N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-1-sulfonamide
CID 129000198
(E)-2-(2-chlorophenyl)-N-[1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]ethenesulfonamide
CID 129002587
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide (CID 129399904) is 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is CCn1nccc1N1CCC[C@H](NS(=O)(=O)c2ccc(Cl)s2)C1=O.
What is the InChIKey of 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
The InChIKey is CBFMNHMLACBILK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN4O3S2/c1-2-19-12(7-8-16-19)18-9-3-4-10(14(18)20)17-24(21,22)13-6-5-11(15)23-13/h5-8,10,17H,2-4,9H2,1H3/t10-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide has a molecular weight of 388.90 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 129399904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).