4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide

C16H19ClN4O3S — CID 128999336

IUPAC4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H19ClN4O3S/c1-2-21-15(9-10-18-21)20-11-3-4-14(16(20)22)19-25(23,24)13-7-5-12(17)6-8-13/h5-10,14,19H,2-4,11H2,1H3
InChIKeyMPJMXERLOJWPDK-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.03
Rot. Bonds5

About 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide

4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide (PubChem CID 128999336) has the molecular formula C16H19ClN4O3S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
PubChem CID128999336
Molecular FormulaC16H19ClN4O3S
Molecular Weight382.87 g/mol
Exact Mass382.09
IUPAC Name4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide
SMILESCCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C16H19ClN4O3S/c1-2-21-15(9-10-18-21)20-11-3-4-14(16(20)22)19-25(23,24)13-7-5-12(17)6-8-13/h5-10,14,19H,2-4,11H2,1H3
InChIKeyMPJMXERLOJWPDK-UHFFFAOYSA-N
XLogP2.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide (CID 128999336) is 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide is CCn1nccc1N1CCCC(NS(=O)(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide?
The InChIKey is MPJMXERLOJWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3S/c1-2-21-15(9-10-18-21)20-11-3-4-14(16(20)22)19-25(23,24)13-7-5-12(17)6-8-13/h5-10,14,19H,2-4,11H2,1H3.
What are the key properties of 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide?
4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide has a molecular weight of 382.87 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2-ethylpyrazol-3-yl)-2-oxopiperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 128999336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).