1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea

C17H20ClN3O3S — CID 86987908

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
SMILESCNS(=O)(=O)c1cc(NC(=O)NCCc2cccc(Cl)c2)ccc1C
InChIInChI=1S/C17H20ClN3O3S/c1-12-6-7-15(11-16(12)25(23,24)19-2)21-17(22)20-9-8-13-4-3-5-14(18)10-13/h3-7,10-11,19H,8-9H2,1-2H3,(H2,20,21,22)
InChIKeyPVXFIZPWQKURQP-UHFFFAOYSA-N
MW381.89 g/mol
LogP2.92
Rot. Bonds6

About 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea

1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea (PubChem CID 86987908) has the molecular formula C17H20ClN3O3S and a molecular weight of 381.89 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
PubChem CID86987908
Molecular FormulaC17H20ClN3O3S
Molecular Weight381.89 g/mol
Exact Mass381.09
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
SMILESCNS(=O)(=O)c1cc(NC(=O)NCCc2cccc(Cl)c2)ccc1C
InChIInChI=1S/C17H20ClN3O3S/c1-12-6-7-15(11-16(12)25(23,24)19-2)21-17(22)20-9-8-13-4-3-5-14(18)10-13/h3-7,10-11,19H,8-9H2,1-2H3,(H2,20,21,22)
InChIKeyPVXFIZPWQKURQP-UHFFFAOYSA-N
XLogP2.92
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.89
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-[2-(3-chlorophenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 27838680
1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885740
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108873490
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
2-(3-fluorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107367
3-(3-acetylanilino)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 109033251
N-(3-chlorophenyl)-N'-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108966965
N-[2-(3-chlorophenyl)ethyl]-2-(2,6-dimethylanilino)acetamide
CID 32908644

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea (CID 86987908) is 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea is CNS(=O)(=O)c1cc(NC(=O)NCCc2cccc(Cl)c2)ccc1C.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea?
The InChIKey is PVXFIZPWQKURQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3S/c1-12-6-7-15(11-16(12)25(23,24)19-2)21-17(22)20-9-8-13-4-3-5-14(18)10-13/h3-7,10-11,19H,8-9H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea has a molecular weight of 381.89 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea is sourced from PubChem (CID 86987908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).