4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide

C14H19ClN6O3S — CID 100649210

IUPAC4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
SMILESCc1cc(N2CCC[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2=O)n(C)n1
InChIInChI=1S/C14H19ClN6O3S/c1-9-7-12(19(2)17-9)21-6-4-5-11(13(21)22)18-25(23,24)14-10(15)8-16-20(14)3/h7-8,11,18H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyXCXFBVDDAIZDDQ-NSHDSACASA-N
MW386.87 g/mol
LogP0.59
Rot. Bonds4

About 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide (PubChem CID 100649210) has the molecular formula C14H19ClN6O3S and a molecular weight of 386.87 g/mol. Its IUPAC name is 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
PubChem CID100649210
Molecular FormulaC14H19ClN6O3S
Molecular Weight386.87 g/mol
Exact Mass386.09
IUPAC Name4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
SMILESCc1cc(N2CCC[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2=O)n(C)n1
InChIInChI=1S/C14H19ClN6O3S/c1-9-7-12(19(2)17-9)21-6-4-5-11(13(21)22)18-25(23,24)14-10(15)8-16-20(14)3/h7-8,11,18H,4-6H2,1-3H3/t11-/m0/s1
InChIKeyXCXFBVDDAIZDDQ-NSHDSACASA-N
XLogP0.59
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.87
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylfuran-3-sulfonamide
CID 128993643
4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 129470983
3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
CID 129470991
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
CID 127397792
(2R,6R)-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,6-dimethylmorpholine-4-sulfonamide
CID 129328277
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-(oxan-4-yl)methanesulfonamide
CID 75494366
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2,5-dimethylmorpholine-4-sulfonamide
CID 154749426
(2S)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-2-phenylpropane-1-sulfonamide
CID 129325928
4-chloro-1-methyl-N-(4-oxocyclohexyl)pyrazole-5-sulfonamide
CID 106314646
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
CID 128999336
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3,5-difluorobenzamide
CID 75512322
6-cyano-N-[(3R)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]pyridine-3-sulfonamide
CID 129327545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide (CID 100649210) is 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide is Cc1cc(N2CCC[C@H](NS(=O)(=O)c3c(Cl)cnn3C)C2=O)n(C)n1.
What is the InChIKey of 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is XCXFBVDDAIZDDQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H19ClN6O3S/c1-9-7-12(19(2)17-9)21-6-4-5-11(13(21)22)18-25(23,24)14-10(15)8-16-20(14)3/h7-8,11,18H,4-6H2,1-3H3/t11-/m0/s1.
What are the key properties of 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 386.87 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 100649210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).