[(5-chloro-2-methylphenyl)sulfonylamino]thiourea

C8H10ClN3O2S2 — CID 65214426

IUPAC[(5-chloro-2-methylphenyl)sulfonylamino]thiourea
SMILESCc1ccc(Cl)cc1S(=O)(=O)NNC(N)=S
InChIInChI=1S/C8H10ClN3O2S2/c1-5-2-3-6(9)4-7(5)16(13,14)12-11-8(10)15/h2-4,12H,1H3,(H3,10,11,15)
InChIKeyMBUDWMOUTCHDAV-UHFFFAOYSA-N
MW279.77 g/mol
LogP0.67
Rot. Bonds3

About [(5-chloro-2-methylphenyl)sulfonylamino]thiourea

[(5-chloro-2-methylphenyl)sulfonylamino]thiourea (PubChem CID 65214426) has the molecular formula C8H10ClN3O2S2 and a molecular weight of 279.77 g/mol. Its IUPAC name is [(5-chloro-2-methylphenyl)sulfonylamino]thiourea.

Molecular Properties

Compound Name[(5-chloro-2-methylphenyl)sulfonylamino]thiourea
PubChem CID65214426
Molecular FormulaC8H10ClN3O2S2
Molecular Weight279.77 g/mol
Exact Mass278.99
IUPAC Name[(5-chloro-2-methylphenyl)sulfonylamino]thiourea
SMILESCc1ccc(Cl)cc1S(=O)(=O)NNC(N)=S
InChIInChI=1S/C8H10ClN3O2S2/c1-5-2-3-6(9)4-7(5)16(13,14)12-11-8(10)15/h2-4,12H,1H3,(H3,10,11,15)
InChIKeyMBUDWMOUTCHDAV-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 50.67
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-chloro-2-methylphenyl)sulfonylamino]thiourea
CID 65214851
[(3-chlorophenyl)sulfonylamino]thiourea
CID 65214631
N'-(2,5-dichlorophenyl)sulfonyl-2,5-dimethylbenzenesulfonohydrazide
CID 8523597
5-[(carbamothioylamino)sulfamoyl]-2-methylbenzamide
CID 65214372
5-chloro-2-methylbenzenesulfonic acid;hydrochloride
CID 88793134
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8500705
ethyl 2-[(5-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921322
3-[(5-chloro-2-methylphenyl)sulfonylamino]propanoic acid
CID 43245307
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
(2-carbamoylphenyl) 5-chloro-2-methylbenzenesulfonate
CID 34031546
3-[(5-chloro-2-methylphenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65265927

Frequently Asked Questions

What is the IUPAC name of [(5-chloro-2-methylphenyl)sulfonylamino]thiourea?
The IUPAC name of [(5-chloro-2-methylphenyl)sulfonylamino]thiourea (CID 65214426) is [(5-chloro-2-methylphenyl)sulfonylamino]thiourea.
What is the SMILES notation for [(5-chloro-2-methylphenyl)sulfonylamino]thiourea?
The canonical SMILES for [(5-chloro-2-methylphenyl)sulfonylamino]thiourea is Cc1ccc(Cl)cc1S(=O)(=O)NNC(N)=S.
What is the InChIKey of [(5-chloro-2-methylphenyl)sulfonylamino]thiourea?
The InChIKey is MBUDWMOUTCHDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S2/c1-5-2-3-6(9)4-7(5)16(13,14)12-11-8(10)15/h2-4,12H,1H3,(H3,10,11,15).
What are the key properties of [(5-chloro-2-methylphenyl)sulfonylamino]thiourea?
[(5-chloro-2-methylphenyl)sulfonylamino]thiourea has a molecular weight of 279.77 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-chloro-2-methylphenyl)sulfonylamino]thiourea is sourced from PubChem (CID 65214426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).