2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide

C11H12ClFN2O2S2 — CID 105400186

IUPAC2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide
SMILESNC(=S)C(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C11H12ClFN2O2S2/c12-8-4-3-7(13)5-9(8)19(16,17)15-10(11(14)18)6-1-2-6/h3-6,10,15H,1-2H2,(H2,14,18)
InChIKeyVGFINANFBDMEDW-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.82
Rot. Bonds5

About 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide

2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide (PubChem CID 105400186) has the molecular formula C11H12ClFN2O2S2 and a molecular weight of 322.81 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide
PubChem CID105400186
Molecular FormulaC11H12ClFN2O2S2
Molecular Weight322.81 g/mol
Exact Mass322.00
IUPAC Name2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide
SMILESNC(=S)C(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1
InChIInChI=1S/C11H12ClFN2O2S2/c12-8-4-3-7(13)5-9(8)19(16,17)15-10(11(14)18)6-1-2-6/h3-6,10,15H,1-2H2,(H2,14,18)
InChIKeyVGFINANFBDMEDW-UHFFFAOYSA-N
XLogP1.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.82
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

3-Chloro-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 582392
4-chloro-N-cyclopropyl-2-fluorobenzenesulfonamide
CID 2440653
2-chloro-N-cyclopropyl-4-fluorobenzene-1-sulfonamide
CID 60728526
4-chloro-N-(cyclopropylmethyl)-2-fluorobenzenesulfonamide
CID 40145917
N-(3-aminopropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 43605743
N-(4-Aminobutyl)-2-chloro-4-fluorobenzenesulfonamide
CID 57665565
N-(3-Amino-1-methylpropyl)-2-chloro-4-fluorobenzenesulfonamide
CID 69442861
2-chloro-N-cyclopropylbenzenesulfonamide
CID 8469243
2-chloro-4-fluoro-N-pentylbenzenesulfonamide
CID 3809025
2-chloro-N-(cyclohexylmethyl)-4-fluorobenzenesulfonamide
CID 5181864
4-chloro-2-fluoro-N-[(2R)-3-methylbutan-2-yl]benzenesulfonamide
CID 8317652
4-chloro-2-fluoro-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
CID 8317656

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide (CID 105400186) is 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide is NC(=S)C(NS(=O)(=O)c1cc(F)ccc1Cl)C1CC1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide?
The InChIKey is VGFINANFBDMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFN2O2S2/c12-8-4-3-7(13)5-9(8)19(16,17)15-10(11(14)18)6-1-2-6/h3-6,10,15H,1-2H2,(H2,14,18).
What are the key properties of 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide?
2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide has a molecular weight of 322.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)sulfonylamino]-2-cyclopropylethanethioamide is sourced from PubChem (CID 105400186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).