1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine

C12H16Cl2N2O2S — CID 119979920

IUPAC1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O2S/c1-15-10-4-6-16(7-5-10)19(17,18)12-8-9(13)2-3-11(12)14/h2-3,8,10,15H,4-7H2,1H3
InChIKeyJSTYJHBWDNABPV-UHFFFAOYSA-N
MW323.25 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine

1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine (PubChem CID 119979920) has the molecular formula C12H16Cl2N2O2S and a molecular weight of 323.25 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
PubChem CID119979920
Molecular FormulaC12H16Cl2N2O2S
Molecular Weight323.25 g/mol
Exact Mass322.03
IUPAC Name1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C12H16Cl2N2O2S/c1-15-10-4-6-16(7-5-10)19(17,18)12-8-9(13)2-3-11(12)14/h2-3,8,10,15H,4-7H2,1H3
InChIKeyJSTYJHBWDNABPV-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
1-(4-chlorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979815
1-(4-chloro-2-nitrophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980088
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
1-[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]ethanol
CID 103834631
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-N-methylpyrrolidin-3-amine
CID 120999245
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
1-(4-chloro-2-fluorophenyl)sulfonyl-N-methylpyrrolidin-3-amine;hydrochloride
CID 119963060
1-(3,4-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119980298
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine (CID 119979920) is 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine is CNC1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
The InChIKey is JSTYJHBWDNABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2S/c1-15-10-4-6-16(7-5-10)19(17,18)12-8-9(13)2-3-11(12)14/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine?
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine has a molecular weight of 323.25 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 119979920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).