3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide

C17H21N5O4S — CID 129470991

IUPAC3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
SMILESCc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(C(N)=O)c3)C2=O)n(C)n1
InChIInChI=1S/C17H21N5O4S/c1-11-9-15(21(2)19-11)22-8-4-7-14(17(22)24)20-27(25,26)13-6-3-5-12(10-13)16(18)23/h3,5-6,9-10,14,20H,4,7-8H2,1-2H3,(H2,18,23)/t14-/m0/s1
InChIKeyOKJZOFPBYJCIMV-AWEZNQCLSA-N
MW391.45 g/mol
LogP0.30
Rot. Bonds5

About 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide

3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide (PubChem CID 129470991) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
PubChem CID129470991
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide
SMILESCc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(C(N)=O)c3)C2=O)n(C)n1
InChIInChI=1S/C17H21N5O4S/c1-11-9-15(21(2)19-11)22-8-4-7-14(17(22)24)20-27(25,26)13-6-3-5-12(10-13)16(18)23/h3,5-6,9-10,14,20H,4,7-8H2,1-2H3,(H2,18,23)/t14-/m0/s1
InChIKeyOKJZOFPBYJCIMV-AWEZNQCLSA-N
XLogP0.30
TPSA127.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 129470983
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
CID 127397792
4-chloro-N-[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-1-methylpyrazole-5-sulfonamide
CID 100649210
(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]-3,5-difluorobenzamide
CID 75512322
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
N-[(3S)-1-(2-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]naphthalene-2-sulfonamide
CID 129326844
3-cyclopentyl-N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]propanamide
CID 75512323
(3R)-N-[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]-3-methylazepane-1-carboxamide
CID 124618097
1-(3,3-difluorocyclobutyl)-3-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]urea
CID 136536189
5-[[(3R)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]amino]-3,3-dimethyl-5-oxopentanoic acid
CID 125146648

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide?
The IUPAC name of 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide (CID 129470991) is 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide is Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc(C(N)=O)c3)C2=O)n(C)n1.
What is the InChIKey of 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide?
The InChIKey is OKJZOFPBYJCIMV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-11-9-15(21(2)19-11)22-8-4-7-14(17(22)24)20-27(25,26)13-6-3-5-12(10-13)16(18)23/h3,5-6,9-10,14,20H,4,7-8H2,1-2H3,(H2,18,23)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide?
3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide has a molecular weight of 391.45 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]sulfamoyl]benzamide is sourced from PubChem (CID 129470991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).