N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine

C15H19Cl2FN2O2S — CID 120711470

IUPACN-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H19Cl2FN2O2S/c16-12-3-4-13(14(17)15(12)18)23(21,22)20-7-5-11(6-8-20)19-9-10-1-2-10/h3-4,10-11,19H,1-2,5-9H2
InChIKeyOSSWZWZBFWEPLW-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.29
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine (PubChem CID 120711470) has the molecular formula C15H19Cl2FN2O2S and a molecular weight of 381.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
PubChem CID120711470
Molecular FormulaC15H19Cl2FN2O2S
Molecular Weight381.30 g/mol
Exact Mass380.05
IUPAC NameN-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
SMILESO=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H19Cl2FN2O2S/c16-12-3-4-13(14(17)15(12)18)23(21,22)20-7-5-11(6-8-20)19-9-10-1-2-10/h3-4,10-11,19H,1-2,5-9H2
InChIKeyOSSWZWZBFWEPLW-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
4-(bromomethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine
CID 103089679
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 119987431
1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711455
(3R)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpyrrolidin-3-ol
CID 103088611
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidine-4-carbonitrile
CID 91651723
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
2,4-dichloro-N-[2-(cyclopropylamino)ethyl]-3-fluorobenzenesulfonamide
CID 103088944

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine (CID 120711470) is N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine is O=S(=O)(c1ccc(Cl)c(F)c1Cl)N1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine?
The InChIKey is OSSWZWZBFWEPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2FN2O2S/c16-12-3-4-13(14(17)15(12)18)23(21,22)20-7-5-11(6-8-20)19-9-10-1-2-10/h3-4,10-11,19H,1-2,5-9H2.
What are the key properties of N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine has a molecular weight of 381.30 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 120711470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).