N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide

C8H12N4O3S — CID 49149504

IUPACN-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O3S/c13-8-7(2-1-3-9-8)12-16(14,15)6-4-10-11-5-6/h4-5,7,12H,1-3H2,(H,9,13)(H,10,11)
InChIKeyLFXFZTAAEDAPNQ-UHFFFAOYSA-N
MW244.28 g/mol
LogP-1.03
Rot. Bonds3

About N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide

N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 49149504) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide
PubChem CID49149504
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC NameN-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide
SMILESO=C1NCCCC1NS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O3S/c13-8-7(2-1-3-9-8)12-16(14,15)6-4-10-11-5-6/h4-5,7,12H,1-3H2,(H,9,13)(H,10,11)
InChIKeyLFXFZTAAEDAPNQ-UHFFFAOYSA-N
XLogP-1.03
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide (CID 49149504) is N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide is O=C1NCCCC1NS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LFXFZTAAEDAPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c13-8-7(2-1-3-9-8)12-16(14,15)6-4-10-11-5-6/h4-5,7,12H,1-3H2,(H,9,13)(H,10,11).
What are the key properties of N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide?
N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 244.28 g/mol, XLogP of -1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 49149504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).