3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

C16H22N4O2S — CID 110735903

IUPAC3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N4O2S/c1-12-16(13(2)18-17-12)23(21,22)19-14-8-10-20(11-9-14)15-6-4-3-5-7-15/h3-7,14,19H,8-11H2,1-2H3,(H,17,18)
InChIKeySIWKSJRRCOYRSM-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.97
Rot. Bonds4

About 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 110735903) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
PubChem CID110735903
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H22N4O2S/c1-12-16(13(2)18-17-12)23(21,22)19-14-8-10-20(11-9-14)15-6-4-3-5-7-15/h3-7,14,19H,8-11H2,1-2H3,(H,17,18)
InChIKeySIWKSJRRCOYRSM-UHFFFAOYSA-N
XLogP1.97
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide (CID 110735903) is 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SIWKSJRRCOYRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-12-16(13(2)18-17-12)23(21,22)19-14-8-10-20(11-9-14)15-6-4-3-5-7-15/h3-7,14,19H,8-11H2,1-2H3,(H,17,18).
What are the key properties of 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 334.45 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1-phenylpiperidin-4-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 110735903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).