1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

C15H21Cl2FN2O2S — CID 120711455

IUPAC1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1c(F)cccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20ClFN2O2S.ClH/c16-13-2-1-3-14(17)15(13)22(20,21)19-8-6-12(7-9-19)18-10-11-4-5-11;/h1-3,11-12,18H,4-10H2;1H
InChIKeyLLUNJBWTDMSUBN-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.05
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 120711455) has the molecular formula C15H21Cl2FN2O2S and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
PubChem CID120711455
Molecular FormulaC15H21Cl2FN2O2S
Molecular Weight383.32 g/mol
Exact Mass382.07
IUPAC Name1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCl.O=S(=O)(c1c(F)cccc1Cl)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C15H20ClFN2O2S.ClH/c16-13-2-1-3-14(17)15(13)22(20,21)19-8-6-12(7-9-19)18-10-11-4-5-11;/h1-3,11-12,18H,4-10H2;1H
InChIKeyLLUNJBWTDMSUBN-UHFFFAOYSA-N
XLogP3.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-chloro-6-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 120709783
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
2-chloro-6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 119987396
N-(cyclopropylmethyl)-1-(2,4-dichloro-3-fluorophenyl)sulfonylpiperidin-4-amine
CID 120711470
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
N-(cyclopropylmethyl)-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-4-amine
CID 119987863
1-(3-bromophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987758
N-(cyclopropylmethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987428
N-(cyclopropylmethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-amine;hydrochloride
CID 119987824

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (CID 120711455) is 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is Cl.O=S(=O)(c1c(F)cccc1Cl)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is LLUNJBWTDMSUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2S.ClH/c16-13-2-1-3-14(17)15(13)22(20,21)19-8-6-12(7-9-19)18-10-11-4-5-11;/h1-3,11-12,18H,4-10H2;1H.
What are the key properties of 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120711455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).