N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

C17H22Cl2N4O2S — CID 72550227

IUPACN-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N4O2S/c1-11-17(12(2)22(3)21-11)26(24,25)23-8-6-13(7-9-23)20-14-4-5-15(18)16(19)10-14/h4-5,10,13,20H,6-9H2,1-3H3
InChIKeyFCJWJQQWJZDVHM-UHFFFAOYSA-N
MW417.36 g/mol
LogP3.61
Rot. Bonds4

About N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 72550227) has the molecular formula C17H22Cl2N4O2S and a molecular weight of 417.36 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID72550227
Molecular FormulaC17H22Cl2N4O2S
Molecular Weight417.36 g/mol
Exact Mass416.08
IUPAC NameN-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H22Cl2N4O2S/c1-11-17(12(2)22(3)21-11)26(24,25)23-8-6-13(7-9-23)20-14-4-5-15(18)16(19)10-14/h4-5,10,13,20H,6-9H2,1-3H3
InChIKeyFCJWJQQWJZDVHM-UHFFFAOYSA-N
XLogP3.61
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 72550227) is N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is FCJWJQQWJZDVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O2S/c1-11-17(12(2)22(3)21-11)26(24,25)23-8-6-13(7-9-23)20-14-4-5-15(18)16(19)10-14/h4-5,10,13,20H,6-9H2,1-3H3.
What are the key properties of N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 417.36 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 72550227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).