1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride

C16H23ClN4O2S — CID 119979713

IUPAC1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O2S.ClH/c21-23(22,19-10-8-14-5-4-9-17-11-14)16-12-18-20(13-16)15-6-2-1-3-7-15;/h1-3,6-7,12-14,17,19H,4-5,8-11H2;1H
InChIKeyVOUFQIVNMAGFER-UHFFFAOYSA-N
MW370.91 g/mol
LogP1.96
Rot. Bonds6

About 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride

1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 119979713) has the molecular formula C16H23ClN4O2S and a molecular weight of 370.91 g/mol. Its IUPAC name is 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID119979713
Molecular FormulaC16H23ClN4O2S
Molecular Weight370.91 g/mol
Exact Mass370.12
IUPAC Name1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H22N4O2S.ClH/c21-23(22,19-10-8-14-5-4-9-17-11-14)16-12-18-20(13-16)15-6-2-1-3-7-15;/h1-3,6-7,12-14,17,19H,4-5,8-11H2;1H
InChIKeyVOUFQIVNMAGFER-UHFFFAOYSA-N
XLogP1.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
1-(2-methoxyphenyl)-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride
CID 119977433
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
1-phenyl-N-[2-(propylamino)ethyl]pyrazole-4-sulfonamide;hydrochloride
CID 120716213
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119979230
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-cyclopentyl-1-phenylpyrazole-4-sulfonamide
CID 47439844
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
N-(2-piperidin-3-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide;hydrochloride
CID 119979349

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride (CID 119979713) is 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCCNC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is VOUFQIVNMAGFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S.ClH/c21-23(22,19-10-8-14-5-4-9-17-11-14)16-12-18-20(13-16)15-6-2-1-3-7-15;/h1-3,6-7,12-14,17,19H,4-5,8-11H2;1H.
What are the key properties of 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride?
1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2-piperidin-3-ylethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119979713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).