4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

C14H16ClF3N2O3S — CID 40811378

IUPAC4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H16ClF3N2O3S/c1-9(13(21)20-6-2-3-7-20)19-24(22,23)10-4-5-12(15)11(8-10)14(16,17)18/h4-5,8-9,19H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyPBXPPFFCHOSTQE-VIFPVBQESA-N
MW384.81 g/mol
LogP2.65
Rot. Bonds4

About 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 40811378) has the molecular formula C14H16ClF3N2O3S and a molecular weight of 384.81 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID40811378
Molecular FormulaC14H16ClF3N2O3S
Molecular Weight384.81 g/mol
Exact Mass384.05
IUPAC Name4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCC1
InChIInChI=1S/C14H16ClF3N2O3S/c1-9(13(21)20-6-2-3-7-20)19-24(22,23)10-4-5-12(15)11(8-10)14(16,17)18/h4-5,8-9,19H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyPBXPPFFCHOSTQE-VIFPVBQESA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 3270164
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
1-(azepan-1-yl)-2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one
CID 46631714
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
4-chloro-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 39837850
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-4-methylpentanoic acid
CID 3464013
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
[2-(2-methylpropylamino)-2-oxoethyl] 2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]propanoate
CID 42899436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 40811378) is 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCC1.
What is the InChIKey of 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PBXPPFFCHOSTQE-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16ClF3N2O3S/c1-9(13(21)20-6-2-3-7-20)19-24(22,23)10-4-5-12(15)11(8-10)14(16,17)18/h4-5,8-9,19H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.81 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 40811378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).