[(3-chlorophenyl)sulfonylamino]thiourea

C7H8ClN3O2S2 — CID 65214631

IUPAC[(3-chlorophenyl)sulfonylamino]thiourea
SMILESNC(=S)NNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClN3O2S2/c8-5-2-1-3-6(4-5)15(12,13)11-10-7(9)14/h1-4,11H,(H3,9,10,14)
InChIKeyZISLJTUDWUTQEO-UHFFFAOYSA-N
MW265.75 g/mol
LogP0.37
Rot. Bonds3

About [(3-chlorophenyl)sulfonylamino]thiourea

[(3-chlorophenyl)sulfonylamino]thiourea (PubChem CID 65214631) has the molecular formula C7H8ClN3O2S2 and a molecular weight of 265.75 g/mol. Its IUPAC name is [(3-chlorophenyl)sulfonylamino]thiourea.

Molecular Properties

Compound Name[(3-chlorophenyl)sulfonylamino]thiourea
PubChem CID65214631
Molecular FormulaC7H8ClN3O2S2
Molecular Weight265.75 g/mol
Exact Mass264.97
IUPAC Name[(3-chlorophenyl)sulfonylamino]thiourea
SMILESNC(=S)NNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C7H8ClN3O2S2/c8-5-2-1-3-6(4-5)15(12,13)11-10-7(9)14/h1-4,11H,(H3,9,10,14)
InChIKeyZISLJTUDWUTQEO-UHFFFAOYSA-N
XLogP0.37
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 50.37
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

(3-chlorophenyl)sulfonylurea
CID 117060605
[(4-chloro-3-nitrophenyl)sulfonylamino]thiourea
CID 65214693
1,3-bis[(3-chlorophenyl)sulfonyl]urea
CID 155928665
3-chlorobenzenesulfonohydrazide
CID 12924057
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
4-[(3-chlorophenyl)sulfonylamino]benzenecarbothioamide
CID 43120080
[(5-chloro-2-methylphenyl)sulfonylamino]thiourea
CID 65214426
1-(benzenesulfonamido)-3-(3-chlorophenyl)thiourea
CID 12842866
[(3,4-dimethoxyphenyl)sulfonylamino]thiourea
CID 65214843
bis(3-chlorobenzenesulfonate);mercury(2+)
CID 22604170
2-[2-(3-chlorophenyl)sulfonylhydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9239659
[(3-chlorophenyl)-methylidene-oxo-λ6-sulfanyl]urea
CID 177035624

Frequently Asked Questions

What is the IUPAC name of [(3-chlorophenyl)sulfonylamino]thiourea?
The IUPAC name of [(3-chlorophenyl)sulfonylamino]thiourea (CID 65214631) is [(3-chlorophenyl)sulfonylamino]thiourea.
What is the SMILES notation for [(3-chlorophenyl)sulfonylamino]thiourea?
The canonical SMILES for [(3-chlorophenyl)sulfonylamino]thiourea is NC(=S)NNS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of [(3-chlorophenyl)sulfonylamino]thiourea?
The InChIKey is ZISLJTUDWUTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3O2S2/c8-5-2-1-3-6(4-5)15(12,13)11-10-7(9)14/h1-4,11H,(H3,9,10,14).
What are the key properties of [(3-chlorophenyl)sulfonylamino]thiourea?
[(3-chlorophenyl)sulfonylamino]thiourea has a molecular weight of 265.75 g/mol, XLogP of 0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorophenyl)sulfonylamino]thiourea is sourced from PubChem (CID 65214631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).