1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine

C15H20ClFN2O2S — CID 120894115

IUPAC1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
SMILESO=S(=O)(c1cc(Cl)ccc1F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20ClFN2O2S/c16-12-3-4-14(17)15(9-12)22(20,21)19-7-5-13(6-8-19)18-10-11-1-2-11/h3-4,9,11,13,18H,1-2,5-8,10H2
InChIKeyJMCBUYXZCNEDRY-UHFFFAOYSA-N
MW346.86 g/mol
LogP2.63
Rot. Bonds5

About 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine

1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine (PubChem CID 120894115) has the molecular formula C15H20ClFN2O2S and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
PubChem CID120894115
Molecular FormulaC15H20ClFN2O2S
Molecular Weight346.86 g/mol
Exact Mass346.09
IUPAC Name1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
SMILESO=S(=O)(c1cc(Cl)ccc1F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20ClFN2O2S/c16-12-3-4-14(17)15(9-12)22(20,21)19-7-5-13(6-8-19)18-10-11-1-2-11/h3-4,9,11,13,18H,1-2,5-8,10H2
InChIKeyJMCBUYXZCNEDRY-UHFFFAOYSA-N
XLogP2.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
1-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120894056
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
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
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 120894023
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
CID 86784647
methyl 2-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-fluorobenzoate
CID 119987926

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine?
The IUPAC name of 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine (CID 120894115) is 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine is O=S(=O)(c1cc(Cl)ccc1F)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine?
The InChIKey is JMCBUYXZCNEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2S/c16-12-3-4-14(17)15(9-12)22(20,21)19-7-5-13(6-8-19)18-10-11-1-2-11/h3-4,9,11,13,18H,1-2,5-8,10H2.
What are the key properties of 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine?
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine has a molecular weight of 346.86 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine is sourced from PubChem (CID 120894115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).