1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea

C15H16ClN3O2S2 — CID 1213468

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O2S2/c16-12-3-1-11(2-4-12)9-10-18-15(22)19-13-5-7-14(8-6-13)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)
InChIKeyDHUQTONICQPUCG-UHFFFAOYSA-N
MW369.90 g/mol
LogP2.52
Rot. Bonds5

About 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea

1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea (PubChem CID 1213468) has the molecular formula C15H16ClN3O2S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
PubChem CID1213468
Molecular FormulaC15H16ClN3O2S2
Molecular Weight369.90 g/mol
Exact Mass369.04
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
SMILESNS(=O)(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O2S2/c16-12-3-1-11(2-4-12)9-10-18-15(22)19-13-5-7-14(8-6-13)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)
InChIKeyDHUQTONICQPUCG-UHFFFAOYSA-N
XLogP2.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(4-bromophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 25040998
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
1-methyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 7943075
3-(4-chlorophenyl)-N-(4-sulfamoylphenyl)propanamide
CID 19220922
1-ethyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 748226
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
2-(4-sulfamoylphenyl)ethylcarbamodithioic acid
CID 82593514
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
1-[(3,4-dichlorophenyl)methyl]-3-(4-sulfamoylphenyl)thiourea
CID 19649416
1-(4-chlorophenyl)-3-[2-(4-chlorophenyl)ethyl]urea
CID 2805176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea (CID 1213468) is 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea is NS(=O)(=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea?
The InChIKey is DHUQTONICQPUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S2/c16-12-3-1-11(2-4-12)9-10-18-15(22)19-13-5-7-14(8-6-13)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea?
1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea has a molecular weight of 369.90 g/mol, XLogP of 2.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(4-sulfamoylphenyl)thiourea is sourced from PubChem (CID 1213468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).