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

C8H10ClN3O2S2 — CID 65214851

IUPAC[(3-chloro-2-methylphenyl)sulfonylamino]thiourea
SMILESCc1c(Cl)cccc1S(=O)(=O)NNC(N)=S
InChIInChI=1S/C8H10ClN3O2S2/c1-5-6(9)3-2-4-7(5)16(13,14)12-11-8(10)15/h2-4,12H,1H3,(H3,10,11,15)
InChIKeyPNPSSIPPTSUELU-UHFFFAOYSA-N
MW279.77 g/mol
LogP0.67
Rot. Bonds3

About [(3-chloro-2-methylphenyl)sulfonylamino]thiourea

[(3-chloro-2-methylphenyl)sulfonylamino]thiourea (PubChem CID 65214851) has the molecular formula C8H10ClN3O2S2 and a molecular weight of 279.77 g/mol. Its IUPAC name is [(3-chloro-2-methylphenyl)sulfonylamino]thiourea.

Molecular Properties

Compound Name[(3-chloro-2-methylphenyl)sulfonylamino]thiourea
PubChem CID65214851
Molecular FormulaC8H10ClN3O2S2
Molecular Weight279.77 g/mol
Exact Mass278.99
IUPAC Name[(3-chloro-2-methylphenyl)sulfonylamino]thiourea
SMILESCc1c(Cl)cccc1S(=O)(=O)NNC(N)=S
InChIInChI=1S/C8H10ClN3O2S2/c1-5-6(9)3-2-4-7(5)16(13,14)12-11-8(10)15/h2-4,12H,1H3,(H3,10,11,15)
InChIKeyPNPSSIPPTSUELU-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

[(5-chloro-2-methylphenyl)sulfonylamino]thiourea
CID 65214426
[(3-chlorophenyl)sulfonylamino]thiourea
CID 65214631
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylbenzenesulfonamide
CID 65314246
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
ethyl N-[(3-chloro-2-fluorophenyl)sulfonylamino]carbamate
CID 47309506
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
[(3-chloro-2-methylbenzoyl)amino]urea
CID 107100350
2-[4-[(3-chloro-2-methylphenyl)sulfonylamino]thiophen-3-yl]-2-methoxypropanamide
CID 90865426
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
N-[2-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 39621833
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
N-(4-acetylphenyl)-3-chloro-2-methylbenzenesulfonamide
CID 60532816

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-2-methylphenyl)sulfonylamino]thiourea?
The IUPAC name of [(3-chloro-2-methylphenyl)sulfonylamino]thiourea (CID 65214851) is [(3-chloro-2-methylphenyl)sulfonylamino]thiourea.
What is the SMILES notation for [(3-chloro-2-methylphenyl)sulfonylamino]thiourea?
The canonical SMILES for [(3-chloro-2-methylphenyl)sulfonylamino]thiourea is Cc1c(Cl)cccc1S(=O)(=O)NNC(N)=S.
What is the InChIKey of [(3-chloro-2-methylphenyl)sulfonylamino]thiourea?
The InChIKey is PNPSSIPPTSUELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2S2/c1-5-6(9)3-2-4-7(5)16(13,14)12-11-8(10)15/h2-4,12H,1H3,(H3,10,11,15).
What are the key properties of [(3-chloro-2-methylphenyl)sulfonylamino]thiourea?
[(3-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 [(3-chloro-2-methylphenyl)sulfonylamino]thiourea is sourced from PubChem (CID 65214851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).