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

C16H18ClN3O3S — CID 108875433

IUPAC1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-24(22,23)20-15-7-5-14(6-8-15)19-16(21)18-10-9-12-3-2-4-13(17)11-12/h2-8,11,20H,9-10H2,1H3,(H2,18,19,21)
InChIKeyRZLAQTFEVJURBM-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.08
Rot. Bonds6

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

1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea (PubChem CID 108875433) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
PubChem CID108875433
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
SMILESCS(=O)(=O)Nc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H18ClN3O3S/c1-24(22,23)20-15-7-5-14(6-8-15)19-16(21)18-10-9-12-3-2-4-13(17)11-12/h2-8,11,20H,9-10H2,1H3,(H2,18,19,21)
InChIKeyRZLAQTFEVJURBM-UHFFFAOYSA-N
XLogP3.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 17380995
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
1-[2-(3-chlorophenyl)ethyl]-3-[4-methyl-3-(methylsulfamoyl)phenyl]urea
CID 86987908
1-[2-(3-chlorophenyl)ethyl]-3-(3,4-difluorophenyl)urea
CID 108991013
1-[2-(3-chlorophenyl)ethyl]-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885740
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate
CID 47583628
1-[2-(3-chlorophenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108991011
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-[2-(3-chlorophenyl)ethyl]urea
CID 108873490
1-(3-hydroxypropyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea?
The IUPAC name of 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea (CID 108875433) is 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea.
What is the SMILES notation for 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea?
The canonical SMILES for 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea is CS(=O)(=O)Nc1ccc(NC(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea?
The InChIKey is RZLAQTFEVJURBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-24(22,23)20-15-7-5-14(6-8-15)19-16(21)18-10-9-12-3-2-4-13(17)11-12/h2-8,11,20H,9-10H2,1H3,(H2,18,19,21).
What are the key properties of 1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea?
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea has a molecular weight of 367.86 g/mol, XLogP of 3.08, 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-(methanesulfonamido)phenyl]urea is sourced from PubChem (CID 108875433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).