N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C12H15ClF2N2O2S — CID 119770525

IUPACN-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(SC(F)F)c1)C1CC(O)CN1
InChIInChI=1S/C12H14F2N2O2S.ClH/c13-12(14)19-9-3-1-2-7(4-9)16-11(18)10-5-8(17)6-15-10;/h1-4,8,10,12,15,17H,5-6H2,(H,16,18);1H
InChIKeyQMGJWCPMXHJBSG-UHFFFAOYSA-N
MW324.78 g/mol
LogP2.08
Rot. Bonds4

About N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119770525) has the molecular formula C12H15ClF2N2O2S and a molecular weight of 324.78 g/mol. Its IUPAC name is N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119770525
Molecular FormulaC12H15ClF2N2O2S
Molecular Weight324.78 g/mol
Exact Mass324.05
IUPAC NameN-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(SC(F)F)c1)C1CC(O)CN1
InChIInChI=1S/C12H14F2N2O2S.ClH/c13-12(14)19-9-3-1-2-7(4-9)16-11(18)10-5-8(17)6-15-10;/h1-4,8,10,12,15,17H,5-6H2,(H,16,18);1H
InChIKeyQMGJWCPMXHJBSG-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120817
4-hydroxy-N-(3-iodophenyl)pyrrolidine-2-carboxamide
CID 43124625
N-[3-(difluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770551
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
4-hydroxy-N-(3-nitrophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670749
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
4-hydroxy-N-(3-pyrrolidin-1-ylphenyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119857481
N-[3-(2-fluoroethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119808988
N-[3-(azepan-1-yl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119892146
4-hydroxy-N-[3-(propylcarbamoyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119712065
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
N-(9H-fluoren-2-yl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119680258

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119770525) is N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(SC(F)F)c1)C1CC(O)CN1.
What is the InChIKey of N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QMGJWCPMXHJBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2S.ClH/c13-12(14)19-9-3-1-2-7(4-9)16-11(18)10-5-8(17)6-15-10;/h1-4,8,10,12,15,17H,5-6H2,(H,16,18);1H.
What are the key properties of N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 324.78 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethylsulfanyl)phenyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119770525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).