1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea

C16H15Cl2N3O2S2 — CID 19678676

IUPAC1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)NC2CC2)cc1
InChIInChI=1S/C16H15Cl2N3O2S2/c17-14-8-5-12(9-15(14)18)21-25(22,23)13-6-3-11(4-7-13)20-16(24)19-10-1-2-10/h3-10,21H,1-2H2,(H2,19,20,24)
InChIKeyPCNSWRWBYKFMAM-UHFFFAOYSA-N
MW416.36 g/mol
LogP4.24
Rot. Bonds5

About 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea

1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea (PubChem CID 19678676) has the molecular formula C16H15Cl2N3O2S2 and a molecular weight of 416.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
PubChem CID19678676
Molecular FormulaC16H15Cl2N3O2S2
Molecular Weight416.36 g/mol
Exact Mass415.00
IUPAC Name1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
SMILESO=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)NC2CC2)cc1
InChIInChI=1S/C16H15Cl2N3O2S2/c17-14-8-5-12(9-15(14)18)21-25(22,23)13-6-3-11(4-7-13)20-16(24)19-10-1-2-10/h3-10,21H,1-2H2,(H2,19,20,24)
InChIKeyPCNSWRWBYKFMAM-UHFFFAOYSA-N
XLogP4.24
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.36
LogP ≤ 54.24
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-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
1-cyclopropyl-3-[4-(ethylsulfamoyl)phenyl]thiourea
CID 19680552
cis-(1R,2S)-2-[[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28976930
trans-(1R,2R)-2-[[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28976936
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(2-methoxyphenyl)thiourea
CID 19678627
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678524
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099
methyl 2-[[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate
CID 19678693
1-cyclohexyl-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]thiourea
CID 19678760
1-cyclopentyl-3-[4-[2-(methylamino)ethylsulfamoyl]phenyl]thiourea
CID 155518251
1-[4-(2-aminoethylsulfamoyl)phenyl]-3-cyclohexylthiourea
CID 155566999

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea?
The IUPAC name of 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea (CID 19678676) is 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea?
The canonical SMILES for 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea is O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(NC(=S)NC2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea?
The InChIKey is PCNSWRWBYKFMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O2S2/c17-14-8-5-12(9-15(14)18)21-25(22,23)13-6-3-11(4-7-13)20-16(24)19-10-1-2-10/h3-10,21H,1-2H2,(H2,19,20,24).
What are the key properties of 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea?
1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea has a molecular weight of 416.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea is sourced from PubChem (CID 19678676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).