2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide

C13H10F2N2O2S2 — CID 43236177

IUPAC2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2O2S2/c14-8-5-6-10(15)12(7-8)21(18,19)17-11-4-2-1-3-9(11)13(16)20/h1-7,17H,(H2,16,20)
InChIKeyXPDTXGMYNMCNHA-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.40
Rot. Bonds4

About 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide

2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide (PubChem CID 43236177) has the molecular formula C13H10F2N2O2S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
PubChem CID43236177
Molecular FormulaC13H10F2N2O2S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2O2S2/c14-8-5-6-10(15)12(7-8)21(18,19)17-11-4-2-1-3-9(11)13(16)20/h1-7,17H,(H2,16,20)
InChIKeyXPDTXGMYNMCNHA-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.40
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

2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
5-bromo-2-[(2-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82694314
2-[(2,5-dibromophenyl)sulfonylamino]benzenecarbothioamide
CID 28880730
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
CID 174629530
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82683778
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
2-[(2,4-dichlorophenyl)sulfamoyl]benzenecarbothioamide
CID 29302580

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide?
The IUPAC name of 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide (CID 43236177) is 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide.
What is the SMILES notation for 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide?
The canonical SMILES for 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide is NC(=S)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide?
The InChIKey is XPDTXGMYNMCNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S2/c14-8-5-6-10(15)12(7-8)21(18,19)17-11-4-2-1-3-9(11)13(16)20/h1-7,17H,(H2,16,20).
What are the key properties of 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide?
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide has a molecular weight of 328.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide is sourced from PubChem (CID 43236177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).