1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea

C17H19ClN2O2S2 — CID 148551338

IUPAC1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea
SMILESCc1ccc(S(=O)(=O)CCCNC(=S)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2S2/c1-13-7-9-14(10-8-13)24(21,22)12-4-11-19-17(23)20-16-6-3-2-5-15(16)18/h2-3,5-10H,4,11-12H2,1H3,(H2,19,20,23)
InChIKeyMTFFIWXCHZSYHA-UHFFFAOYSA-N
MW382.94 g/mol
LogP3.80
Rot. Bonds6

About 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea

1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea (PubChem CID 148551338) has the molecular formula C17H19ClN2O2S2 and a molecular weight of 382.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea
PubChem CID148551338
Molecular FormulaC17H19ClN2O2S2
Molecular Weight382.94 g/mol
Exact Mass382.06
IUPAC Name1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea
SMILESCc1ccc(S(=O)(=O)CCCNC(=S)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H19ClN2O2S2/c1-13-7-9-14(10-8-13)24(21,22)12-4-11-19-17(23)20-16-6-3-2-5-15(16)18/h2-3,5-10H,4,11-12H2,1H3,(H2,19,20,23)
InChIKeyMTFFIWXCHZSYHA-UHFFFAOYSA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea 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

1-(2-chlorophenyl)-3-(4-methylphenyl)sulfonylthiourea
CID 139645074
1-(2-chlorophenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 2444446
1-(2-chlorophenyl)-3-nonylthiourea
CID 19651087
1-(2-chlorophenyl)-3-[2-(N,4-dimethylanilino)ethyl]thiourea
CID 100753704
1-(2-chlorophenyl)-3-[3-(3,4-dimethoxyphenyl)propyl]thiourea
CID 48553603
1-(2-chlorophenyl)-3-[3-(4-methylpiperidin-1-yl)propyl]thiourea
CID 92541853
1-(4-methylphenyl)sulfonyl-3-[3-(4-methylphenyl)sulfonylpropyl]urea
CID 157413928
1-(2-chlorophenyl)-3-[3-[(4-chlorophenyl)methylsulfanyl]propyl]thiourea
CID 100696342
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
methyl 4-chloro-3-[3-(4-methylphenyl)propylcarbamothioylamino]benzoate
CID 100612062
1-(3-chloro-2-methylphenyl)-3-dodecylthiourea
CID 19651379
1-(3-chloro-2-methylphenyl)-3-heptylthiourea
CID 19650849

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea?
The IUPAC name of 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea (CID 148551338) is 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea is Cc1ccc(S(=O)(=O)CCCNC(=S)Nc2ccccc2Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea?
The InChIKey is MTFFIWXCHZSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2S2/c1-13-7-9-14(10-8-13)24(21,22)12-4-11-19-17(23)20-16-6-3-2-5-15(16)18/h2-3,5-10H,4,11-12H2,1H3,(H2,19,20,23).
What are the key properties of 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea?
1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea has a molecular weight of 382.94 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[3-(4-methylphenyl)sulfonylpropyl]thiourea is sourced from PubChem (CID 148551338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).