2-[(2-chlorophenyl)sulfonylamino]propanethioamide

C9H11ClN2O2S2 — CID 61124636

IUPAC2-[(2-chlorophenyl)sulfonylamino]propanethioamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)C(N)=S
InChIInChI=1S/C9H11ClN2O2S2/c1-6(9(11)15)12-16(13,14)8-5-3-2-4-7(8)10/h2-6,12H,1H3,(H2,11,15)
InChIKeyLYWFSLYUMIFFDG-UHFFFAOYSA-N
MW278.79 g/mol
LogP1.29
Rot. Bonds4

About 2-[(2-chlorophenyl)sulfonylamino]propanethioamide

2-[(2-chlorophenyl)sulfonylamino]propanethioamide (PubChem CID 61124636) has the molecular formula C9H11ClN2O2S2 and a molecular weight of 278.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)sulfonylamino]propanethioamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)sulfonylamino]propanethioamide
PubChem CID61124636
Molecular FormulaC9H11ClN2O2S2
Molecular Weight278.79 g/mol
Exact Mass278.00
IUPAC Name2-[(2-chlorophenyl)sulfonylamino]propanethioamide
SMILESCC(NS(=O)(=O)c1ccccc1Cl)C(N)=S
InChIInChI=1S/C9H11ClN2O2S2/c1-6(9(11)15)12-16(13,14)8-5-3-2-4-7(8)10/h2-6,12H,1H3,(H2,11,15)
InChIKeyLYWFSLYUMIFFDG-UHFFFAOYSA-N
XLogP1.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.79
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]-2-chlorobenzenesulfonamide
CID 104873370
(2R)-4-amino-2-[(2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 28828867
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzenesulfonamide;hydrochloride
CID 119983371
2-[(2-chlorophenyl)sulfonylamino]-2-methylbutanethioamide
CID 61123488
3-[(2-chlorophenyl)sulfonylamino]-N-(cyclopropylmethyl)-2-oxobutanamide
CID 134349587
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
2-[(2-carbamothioylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61467920
(2S)-2-[(2-chlorophenyl)sulfonylamino]-2-phenyl-N-propan-2-ylacetamide
CID 110286720
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
2-chloro-N-[(2S)-3-ethyl-1-hydroxypentan-2-yl]benzenesulfonamide
CID 69464437
(2S)-2-[(2-chlorophenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347969

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]propanethioamide?
The IUPAC name of 2-[(2-chlorophenyl)sulfonylamino]propanethioamide (CID 61124636) is 2-[(2-chlorophenyl)sulfonylamino]propanethioamide.
What is the SMILES notation for 2-[(2-chlorophenyl)sulfonylamino]propanethioamide?
The canonical SMILES for 2-[(2-chlorophenyl)sulfonylamino]propanethioamide is CC(NS(=O)(=O)c1ccccc1Cl)C(N)=S.
What is the InChIKey of 2-[(2-chlorophenyl)sulfonylamino]propanethioamide?
The InChIKey is LYWFSLYUMIFFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2S2/c1-6(9(11)15)12-16(13,14)8-5-3-2-4-7(8)10/h2-6,12H,1H3,(H2,11,15).
What are the key properties of 2-[(2-chlorophenyl)sulfonylamino]propanethioamide?
2-[(2-chlorophenyl)sulfonylamino]propanethioamide has a molecular weight of 278.79 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)sulfonylamino]propanethioamide is sourced from PubChem (CID 61124636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).