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

C15H18N4O4S3 — CID 2192287

IUPAC1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
SMILESNS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N4O4S3/c16-25(20,21)13-5-1-11(2-6-13)9-10-18-15(24)19-12-3-7-14(8-4-12)26(17,22)23/h1-8H,9-10H2,(H2,16,20,21)(H2,17,22,23)(H2,18,19,24)
InChIKeyPVSWUJNBHHDSMN-UHFFFAOYSA-N
MW414.53 g/mol
LogP0.51
Rot. Bonds6

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

1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea (PubChem CID 2192287) has the molecular formula C15H18N4O4S3 and a molecular weight of 414.53 g/mol. Its IUPAC name is 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea.

Molecular Properties

Compound Name1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
PubChem CID2192287
Molecular FormulaC15H18N4O4S3
Molecular Weight414.53 g/mol
Exact Mass414.05
IUPAC Name1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
SMILESNS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H18N4O4S3/c16-25(20,21)13-5-1-11(2-6-13)9-10-18-15(24)19-12-3-7-14(8-4-12)26(17,22)23/h1-8H,9-10H2,(H2,16,20,21)(H2,17,22,23)(H2,18,19,24)
InChIKeyPVSWUJNBHHDSMN-UHFFFAOYSA-N
XLogP0.51
TPSA144.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]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

4-((Phenylmethyl)amino)benzenesulfonamide
CID 2755709
N-({[4-(Aminosulfonyl)phenyl]amino}carbonyl)-4-methylbenzenesulfonamide
CID 6852128
Urea, 1-phenyl-2-thio-3-(p-tolylsulfonyl)-
CID 726363
Sulfatolamide
CID 3034019
1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
4-[2-[(4-Aminophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 9998322
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
1-(4-Iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 87523231
1-Phenyl-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 747569
4-[(2E)-3-phenylprop-2-en-1-yl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1213452
1-(4-Iodophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446203
4-{[(2-{[(4-Methylphenyl)carbamoyl]amino}ethyl)sulfonyl]amino}benzene-1-sulfonamide
CID 155289401

Frequently Asked Questions

What is the IUPAC name of 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The IUPAC name of 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea (CID 2192287) is 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea.
What is the SMILES notation for 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The canonical SMILES for 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is NS(=O)(=O)c1ccc(CCNC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
The InChIKey is PVSWUJNBHHDSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S3/c16-25(20,21)13-5-1-11(2-6-13)9-10-18-15(24)19-12-3-7-14(8-4-12)26(17,22)23/h1-8H,9-10H2,(H2,16,20,21)(H2,17,22,23)(H2,18,19,24).
What are the key properties of 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea?
1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea has a molecular weight of 414.53 g/mol, XLogP of 0.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-sulfamoylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea is sourced from PubChem (CID 2192287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).