1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea

C16H17ClN2O3S — CID 47033294

IUPAC1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-2-23(21,22)14-9-7-13(8-10-14)19-16(20)18-11-12-5-3-4-6-15(12)17/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyDXXNWYMEJZHZMU-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.46
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea

1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea (PubChem CID 47033294) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
PubChem CID47033294
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O3S/c1-2-23(21,22)14-9-7-13(8-10-14)19-16(20)18-11-12-5-3-4-6-15(12)17/h3-10H,2,11H2,1H3,(H2,18,19,20)
InChIKeyDXXNWYMEJZHZMU-UHFFFAOYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl]carbamate
CID 47039627
[4-[(2-chlorophenyl)methylcarbamoylamino]phenyl] ethyl carbonate
CID 108865473
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1-[(2-chlorophenyl)methyl]-3-(3,4-dimethylphenyl)urea
CID 47192222
1-[(2-chlorophenyl)methyl]-3-(2-methylphenyl)urea
CID 6468848
1-[(2-chlorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 3868161
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
N-[4-[(2-methylphenyl)methylcarbamoylamino]phenyl]acetamide
CID 108897103
1-[(2,3-dichlorophenyl)methyl]-3-[4-(2,3-dihydro-1H-isoindol-5-ylmethylsulfonyl)phenyl]urea;ethane
CID 145372952
1-[4-[[4-(2-amino-2-methylpropyl)phenyl]sulfamoyl]phenyl]-3-[(2,3-dichlorophenyl)methyl]urea
CID 130447348
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-(4-sulfamoylphenyl)urea
CID 27869210
1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea (CID 47033294) is 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea is CCS(=O)(=O)c1ccc(NC(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea?
The InChIKey is DXXNWYMEJZHZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-2-23(21,22)14-9-7-13(8-10-14)19-16(20)18-11-12-5-3-4-6-15(12)17/h3-10H,2,11H2,1H3,(H2,18,19,20).
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea?
1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea has a molecular weight of 352.84 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-(4-ethylsulfonylphenyl)urea is sourced from PubChem (CID 47033294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).