1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea

C16H17Cl2N3O3S — CID 47038787

IUPAC1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N3O3S/c1-21(2)25(23,24)15-5-3-11(4-6-15)10-19-16(22)20-14-8-12(17)7-13(18)9-14/h3-9H,10H2,1-2H3,(H2,19,20,22)
InChIKeyCNRFUJOQWSGRJR-UHFFFAOYSA-N
MW402.30 g/mol
LogP3.57
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea

1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea (PubChem CID 47038787) has the molecular formula C16H17Cl2N3O3S and a molecular weight of 402.30 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
PubChem CID47038787
Molecular FormulaC16H17Cl2N3O3S
Molecular Weight402.30 g/mol
Exact Mass401.04
IUPAC Name1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C16H17Cl2N3O3S/c1-21(2)25(23,24)15-5-3-11(4-6-15)10-19-16(22)20-14-8-12(17)7-13(18)9-14/h3-9H,10H2,1-2H3,(H2,19,20,22)
InChIKeyCNRFUJOQWSGRJR-UHFFFAOYSA-N
XLogP3.57
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(4-methylsulfonylphenyl)urea
CID 47038984
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(3-fluorophenyl)urea
CID 55739918
1-[3-(difluoromethoxy)phenyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea
CID 55738445
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(2,4,6-trimethylphenyl)urea
CID 47038741
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
[2-(3,5-dichloroanilino)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2115425
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]urea
CID 56519718
N-[(4-acetamidophenyl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 8006630
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
1-[(4-chlorophenyl)methyl]-3-(4-cyclopropylsulfonylphenyl)urea
CID 156824669
1-[(2,4-dichlorophenyl)methyl]-3-[[4-(diethylsulfamoyl)phenyl]methyl]urea
CID 55473112

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea (CID 47038787) is 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea is CN(C)S(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
The InChIKey is CNRFUJOQWSGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3S/c1-21(2)25(23,24)15-5-3-11(4-6-15)10-19-16(22)20-14-8-12(17)7-13(18)9-14/h3-9H,10H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea?
1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea has a molecular weight of 402.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[[4-(dimethylsulfamoyl)phenyl]methyl]urea is sourced from PubChem (CID 47038787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).