1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea

C15H16ClN3O2S2 — CID 2208056

IUPAC1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea
SMILESNS(=O)(=O)c1ccc(CNC(=S)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O2S2/c16-13-5-1-11(2-6-13)9-18-15(22)19-10-12-3-7-14(8-4-12)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)
InChIKeyGOEDYSIPUGJTMJ-UHFFFAOYSA-N
MW369.90 g/mol
LogP2.15
Rot. Bonds5

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

1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea (PubChem CID 2208056) has the molecular formula C15H16ClN3O2S2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea
PubChem CID2208056
Molecular FormulaC15H16ClN3O2S2
Molecular Weight369.90 g/mol
Exact Mass369.04
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea
SMILESNS(=O)(=O)c1ccc(CNC(=S)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H16ClN3O2S2/c16-13-5-1-11(2-6-13)9-18-15(22)19-10-12-3-7-14(8-4-12)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22)
InChIKeyGOEDYSIPUGJTMJ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
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

4-[2-[(4-Chlorophenyl)methylamino]ethyl]benzenesulfonamide
CID 4722330
N-(4-chlorobenzyl)-N-methylbenzene-1,4-disulfonamide
CID 17414308
N-(benzylcarbamoyl)-2-chlorobenzenesulfonamide
CID 744686
N-[(4-chlorophenyl)methyl]-4-methylsulfonylpiperazine-1-carbothioamide
CID 970851
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
N-[(4-chlorophenyl)methyl]-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide
CID 2208118
4-[2-[4-[(4-Chlorophenyl)methyl]-1,1-dioxo-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide
CID 164619824
1-Cyclohexyl-3-[(4-sulfamoylphenyl)methyl]thiourea
CID 978218
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-methylbenzenesulfonamide
CID 11496252
4-({[(4-Chlorobenzyl)sulfonyl]amino}methyl)benzenesulfonamide
CID 2974096
1-(4-Fluorobenzyl)-3-(4-sulfamoylbenzyl)thiourea
CID 17263598
1-[3-(4-Chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 142727589

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea (CID 2208056) is 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea is NS(=O)(=O)c1ccc(CNC(=S)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea?
The InChIKey is GOEDYSIPUGJTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S2/c16-13-5-1-11(2-6-13)9-18-15(22)19-10-12-3-7-14(8-4-12)23(17,20)21/h1-8H,9-10H2,(H2,17,20,21)(H2,18,19,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea?
1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea has a molecular weight of 369.90 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(4-sulfamoylphenyl)methyl]thiourea is sourced from PubChem (CID 2208056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).