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

C18H24Cl2N4O2S — CID 118027522

IUPACN-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(N(C)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N4O2S/c1-12-18(13(2)23(4)21-12)27(25,26)24-9-7-14(8-10-24)22(3)15-5-6-16(19)17(20)11-15/h5-6,11,14H,7-10H2,1-4H3
InChIKeyBIWARYDJUHLCPS-UHFFFAOYSA-N
MW431.39 g/mol
LogP3.63
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 118027522) has the molecular formula C18H24Cl2N4O2S and a molecular weight of 431.39 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID118027522
Molecular FormulaC18H24Cl2N4O2S
Molecular Weight431.39 g/mol
Exact Mass430.10
IUPAC NameN-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(N(C)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C18H24Cl2N4O2S/c1-12-18(13(2)23(4)21-12)27(25,26)24-9-7-14(8-10-24)22(3)15-5-6-16(19)17(20)11-15/h5-6,11,14H,7-10H2,1-4H3
InChIKeyBIWARYDJUHLCPS-UHFFFAOYSA-N
XLogP3.63
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 118027522) is N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(N(C)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is BIWARYDJUHLCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N4O2S/c1-12-18(13(2)23(4)21-12)27(25,26)24-9-7-14(8-10-24)22(3)15-5-6-16(19)17(20)11-15/h5-6,11,14H,7-10H2,1-4H3.
What are the key properties of N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 431.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 118027522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).