(2-chloro-3-fluoroanilino)sulfanium

C6H6ClFNS+ — CID 163531717

IUPAC(2-chloro-3-fluoroanilino)sulfanium
SMILESFc1cccc(N[SH2+])c1Cl
InChIInChI=1S/C6H5ClFNS/c7-6-4(8)2-1-3-5(6)9-10/h1-3,9-10H/p+1
InChIKeyDTOGSIDMTURDAA-UHFFFAOYSA-O
MW178.64 g/mol
LogP1.82
Rot. Bonds1

About (2-chloro-3-fluoroanilino)sulfanium

(2-chloro-3-fluoroanilino)sulfanium (PubChem CID 163531717) has the molecular formula C6H6ClFNS+ and a molecular weight of 178.64 g/mol. Its IUPAC name is (2-chloro-3-fluoroanilino)sulfanium.

Molecular Properties

Compound Name(2-chloro-3-fluoroanilino)sulfanium
PubChem CID163531717
Molecular FormulaC6H6ClFNS+
Molecular Weight178.64 g/mol
Exact Mass177.99
IUPAC Name(2-chloro-3-fluoroanilino)sulfanium
SMILESFc1cccc(N[SH2+])c1Cl
InChIInChI=1S/C6H5ClFNS/c7-6-4(8)2-1-3-5(6)9-10/h1-3,9-10H/p+1
InChIKeyDTOGSIDMTURDAA-UHFFFAOYSA-O
XLogP1.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-chloro-3-fluoroanilino)sulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chloro-3-fluorophenyl)hydrazine
CID 55280948
N'-(2-chloro-3-fluorophenyl)propane-1,3-diamine
CID 164647580
1-amino-3-(2-chloro-3-fluorophenyl)thiourea
CID 51000226
2-bromo-N-(2-chloro-3-fluorophenyl)-2-methylpropanamide
CID 164656809
(2-chloro-3-fluorophenyl)methanethiol
CID 112652262
N-(2-chloro-3-fluorophenyl)-2-methylbenzamide
CID 3784219
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
methyl 2-(2-chloro-3-fluoroanilino)-4-(methylamino)butanoate
CID 153342653
3-N-(2-chloro-3-fluorophenyl)benzene-1,3-dicarboxamide
CID 172768302
(2-chloro-3-fluorophenyl)methylhydrazine
CID 81453607
dimethyl (E)-2-(2-chloro-3-fluoroanilino)but-2-enedioate
CID 168569472
N-(2-chloro-3-fluorophenyl)-4-methyl-2,5-dioxopyrrolidine-3-carboxamide
CID 139526277

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluoroanilino)sulfanium?
The IUPAC name of (2-chloro-3-fluoroanilino)sulfanium (CID 163531717) is (2-chloro-3-fluoroanilino)sulfanium.
What is the SMILES notation for (2-chloro-3-fluoroanilino)sulfanium?
The canonical SMILES for (2-chloro-3-fluoroanilino)sulfanium is Fc1cccc(N[SH2+])c1Cl.
What is the InChIKey of (2-chloro-3-fluoroanilino)sulfanium?
The InChIKey is DTOGSIDMTURDAA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5ClFNS/c7-6-4(8)2-1-3-5(6)9-10/h1-3,9-10H/p+1.
What are the key properties of (2-chloro-3-fluoroanilino)sulfanium?
(2-chloro-3-fluoroanilino)sulfanium has a molecular weight of 178.64 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoroanilino)sulfanium is sourced from PubChem (CID 163531717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).