1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea

C13H10Cl2FN3O2S2 — CID 2206508

IUPAC1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea
SMILESO=S(=O)(NNC(=S)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H10Cl2FN3O2S2/c14-10-2-1-3-11(12(10)15)17-13(22)18-19-23(20,21)9-6-4-8(16)5-7-9/h1-7,19H,(H2,17,18,22)
InChIKeyYXCNEBXPNLKTRL-UHFFFAOYSA-N
MW394.28 g/mol
LogP3.31
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea

1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea (PubChem CID 2206508) has the molecular formula C13H10Cl2FN3O2S2 and a molecular weight of 394.28 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea
PubChem CID2206508
Molecular FormulaC13H10Cl2FN3O2S2
Molecular Weight394.28 g/mol
Exact Mass392.96
IUPAC Name1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea
SMILESO=S(=O)(NNC(=S)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1
InChIInChI=1S/C13H10Cl2FN3O2S2/c14-10-2-1-3-11(12(10)15)17-13(22)18-19-23(20,21)9-6-4-8(16)5-7-9/h1-7,19H,(H2,17,18,22)
InChIKeyYXCNEBXPNLKTRL-UHFFFAOYSA-N
XLogP3.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3-dichlorophenyl)-3-(2,5-difluorophenyl)thiourea
CID 17381854
N-(2,3-dichlorophenyl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 55811044
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)thiourea
CID 4841872
1-(2,3-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]thiourea
CID 978146
1-[(4-butylphenyl)sulfonylamino]-3-(2,3-dichlorophenyl)urea
CID 2954418
1-(benzenesulfonamido)-3-(3-fluorophenyl)thiourea
CID 134097502
N-(3-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 711089
1-[(4-fluorophenyl)sulfonylamino]-3-prop-2-enylthiourea
CID 2210355
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
[(4-fluorophenyl)sulfonylamino]urea
CID 140574528
1-(benzenesulfonamido)-3-(3-chlorophenyl)thiourea
CID 12842866
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea (CID 2206508) is 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea is O=S(=O)(NNC(=S)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea?
The InChIKey is YXCNEBXPNLKTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O2S2/c14-10-2-1-3-11(12(10)15)17-13(22)18-19-23(20,21)9-6-4-8(16)5-7-9/h1-7,19H,(H2,17,18,22).
What are the key properties of 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea?
1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea has a molecular weight of 394.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]thiourea is sourced from PubChem (CID 2206508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).