(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane

C11H14ClFN2OS — CID 161148090

IUPAC(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
SMILESNC(=O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1.S
InChIInChI=1S/C11H12ClFN2O.H2S/c12-9-2-1-8(5-10(9)13)15-4-3-7(6-15)11(14)16;/h1-2,5,7H,3-4,6H2,(H2,14,16);1H2/t7-;/m0./s1
InChIKeyUOHWVIDRLAQHAI-FJXQXJEOSA-N
MW276.76 g/mol
LogP1.90
Rot. Bonds2

About (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane

(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane (PubChem CID 161148090) has the molecular formula C11H14ClFN2OS and a molecular weight of 276.76 g/mol. Its IUPAC name is (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane.

Molecular Properties

Compound Name(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
PubChem CID161148090
Molecular FormulaC11H14ClFN2OS
Molecular Weight276.76 g/mol
Exact Mass276.05
IUPAC Name(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane
SMILESNC(=O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1.S
InChIInChI=1S/C11H12ClFN2O.H2S/c12-9-2-1-8(5-10(9)13)15-4-3-7(6-15)11(14)16;/h1-2,5,7H,3-4,6H2,(H2,14,16);1H2/t7-;/m0./s1
InChIKeyUOHWVIDRLAQHAI-FJXQXJEOSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
1-(3,5-dichlorophenyl)pyrrolidine-3-carboxamide
CID 117008210
2-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]acetyl chloride
CID 148838522
1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 123803254
1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 144839980
1-(2-amino-4-chloro-5-fluorophenyl)piperidine-3-carboxamide
CID 66077177
(3R)-1-[4-chloro-3-(4-fluorophenyl)phenyl]pyrrolidine-3-carboxylic acid
CID 118058318
1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide
CID 134288463
4-N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 138996052
3-[[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066406
1-(3,5-dimethylphenyl)pyrrolidine-3-carboxamide
CID 117008153
1-(4-ethylphenyl)pyrrolidine-3-carboxamide
CID 117008157

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane?
The IUPAC name of (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane (CID 161148090) is (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane.
What is the SMILES notation for (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane?
The canonical SMILES for (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane is NC(=O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1.S.
What is the InChIKey of (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane?
The InChIKey is UOHWVIDRLAQHAI-FJXQXJEOSA-N. The full InChI is InChI=1S/C11H12ClFN2O.H2S/c12-9-2-1-8(5-10(9)13)15-4-3-7(6-15)11(14)16;/h1-2,5,7H,3-4,6H2,(H2,14,16);1H2/t7-;/m0./s1.
What are the key properties of (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane?
(3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane has a molecular weight of 276.76 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chloro-3-fluorophenyl)pyrrolidine-3-carboxamide;sulfane is sourced from PubChem (CID 161148090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).