1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea

C16H18ClN3O3S — CID 110615762

IUPAC1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c17-14-6-4-5-13(11-14)12-19-16(21)18-9-10-24(22,23)20-15-7-2-1-3-8-15/h1-8,11,20H,9-10,12H2,(H2,18,19,21)
InChIKeyIXMAUZXRDIYDAC-UHFFFAOYSA-N
MW367.86 g/mol
LogP2.58
Rot. Bonds7

About 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea

1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea (PubChem CID 110615762) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea
PubChem CID110615762
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)NCc1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O3S/c17-14-6-4-5-13(11-14)12-19-16(21)18-9-10-24(22,23)20-15-7-2-1-3-8-15/h1-8,11,20H,9-10,12H2,(H2,18,19,21)
InChIKeyIXMAUZXRDIYDAC-UHFFFAOYSA-N
XLogP2.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[[3-(aminomethyl)phenyl]methyl]-3-[2-(3-chlorophenyl)ethyl]urea
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1-[(3-chlorophenyl)methyl]-3-[2-[4-(dimethylamino)phenyl]ethyl]urea
CID 110307179
1-[(3-chlorophenyl)methyl]-3-[2-(dimethylamino)-2-phenylethyl]urea
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1-(3-butoxypropyl)-3-[(3-chlorophenyl)methyl]urea
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1-[(3-chlorophenyl)methyl]-3-(2,6-dichlorophenyl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea (CID 110615762) is 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea is O=C(NCCS(=O)(=O)Nc1ccccc1)NCc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
The InChIKey is IXMAUZXRDIYDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-14-6-4-5-13(11-14)12-19-16(21)18-9-10-24(22,23)20-15-7-2-1-3-8-15/h1-8,11,20H,9-10,12H2,(H2,18,19,21).
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea?
1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea has a molecular weight of 367.86 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[2-(phenylsulfamoyl)ethyl]urea is sourced from PubChem (CID 110615762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).