1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea

C16H24ClN3O3S — CID 166835103

IUPAC1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea
SMILESCCS(=O)(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-2-24(22,23)20-15-9-7-14(8-10-15)19-16(21)18-11-12-3-5-13(17)6-4-12/h3-6,14-15,20H,2,7-11H2,1H3,(H2,18,19,21)
InChIKeyIGSBKSTXWMBUKJ-UHFFFAOYSA-N
MW373.91 g/mol
LogP2.39
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea

1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea (PubChem CID 166835103) has the molecular formula C16H24ClN3O3S and a molecular weight of 373.91 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea
PubChem CID166835103
Molecular FormulaC16H24ClN3O3S
Molecular Weight373.91 g/mol
Exact Mass373.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea
SMILESCCS(=O)(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN3O3S/c1-2-24(22,23)20-15-9-7-14(8-10-15)19-16(21)18-11-12-3-5-13(17)6-4-12/h3-6,14-15,20H,2,7-11H2,1H3,(H2,18,19,21)
InChIKeyIGSBKSTXWMBUKJ-UHFFFAOYSA-N
XLogP2.39
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.91
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorobenzyl)-N'-cyclohexylurea
CID 306771
{[(4-chlorophenyl)methyl]amino}-N-[(4-methylphenyl)sulfonyl]carboxamide
CID 2103195
N-(4-chlorobenzyl)-2-[cyclohexyl(methylsulfonyl)amino]acetamide
CID 989289
N~2~-(4-chlorobenzyl)-N~1~-cyclohexyl-N~2~-(methylsulfonyl)glycinamide
CID 2229371
1-Benzyl-3-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]urea
CID 11573773
1-[3-(4-Chlorophenyl)propyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 142727589
1-[2-[(3-Chlorophenyl)sulfonylamino]ethyl]-3-[(4-methylphenyl)methyl]urea
CID 32016612
1-[1-(4-Chlorophenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 42934827
1-[1-(3-Chlorophenyl)ethyl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51081782
1-[1-(4-Chlorophenyl)ethyl]-3-[3-[methyl(methylsulfonyl)amino]propyl]urea
CID 51081800
N-[(2-chlorophenyl)methyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 51083459
1-[1-(4-Chlorophenyl)cyclobutyl]-3-[2-(methanesulfonamido)ethyl]urea
CID 53578347

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea (CID 166835103) is 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea is CCS(=O)(=O)NC1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea?
The InChIKey is IGSBKSTXWMBUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O3S/c1-2-24(22,23)20-15-9-7-14(8-10-15)19-16(21)18-11-12-3-5-13(17)6-4-12/h3-6,14-15,20H,2,7-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea?
1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea has a molecular weight of 373.91 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfonylamino)cyclohexyl]urea is sourced from PubChem (CID 166835103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).