N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine

C16H21ClN4O2S — CID 86704304

IUPACN-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN4O2S/c1-11-16(12(2)20-19-11)24(22,23)21-9-7-15(8-10-21)18-14-5-3-13(17)4-6-14/h3-6,15,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyDOWIFIDOHSZOCO-UHFFFAOYSA-N
MW368.89 g/mol
LogP2.95
Rot. Bonds4

About N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine

N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine (PubChem CID 86704304) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
PubChem CID86704304
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC NameN-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN4O2S/c1-11-16(12(2)20-19-11)24(22,23)21-9-7-15(8-10-21)18-14-5-3-13(17)4-6-14/h3-6,15,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyDOWIFIDOHSZOCO-UHFFFAOYSA-N
XLogP2.95
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine (CID 86704304) is N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
The InChIKey is DOWIFIDOHSZOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S/c1-11-16(12(2)20-19-11)24(22,23)21-9-7-15(8-10-21)18-14-5-3-13(17)4-6-14/h3-6,15,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine?
N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine has a molecular weight of 368.89 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine is sourced from PubChem (CID 86704304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).