1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea

C17H19ClN2O3S — CID 2818820

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-20(17(21)19-15-6-4-3-5-7-15)12-13-24(22,23)16-10-8-14(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyFUQQYRCZSKTHAY-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.67
Rot. Bonds6

About 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea

1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea (PubChem CID 2818820) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
PubChem CID2818820
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19ClN2O3S/c1-2-20(17(21)19-15-6-4-3-5-7-15)12-13-24(22,23)16-10-8-14(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21)
InChIKeyFUQQYRCZSKTHAY-UHFFFAOYSA-N
XLogP3.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Glyparamide
CID 246940
1-(2-Chloro-5-methylsulfonylphenyl)-3-phenylurea
CID 2404411
1-(4-Chlorophenyl)-3-(4-(methylsulfonyl)phenyl)urea
CID 44447101
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 2963778
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
(1S,5R)-3-(benzenesulfonyl)-N-(4-chlorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 44190907
N'-(4-chlorophenyl)-N-{2-[(4-chlorophenyl)sulfonyl]ethyl}-N-ethylurea
CID 2818821
1-(1,1-Dioxido-2,3-dihydrothiophen-3-yl)-1,3-diphenylurea
CID 3666621
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
4-[[3-(4-chlorophenyl)sulfonylphenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 11496472
2-(4-Chlorophenyl)sulfonyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 7177736

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea (CID 2818820) is 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea is CCN(CCS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea?
The InChIKey is FUQQYRCZSKTHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-2-20(17(21)19-15-6-4-3-5-7-15)12-13-24(22,23)16-10-8-14(18)9-11-16/h3-11H,2,12-13H2,1H3,(H,19,21).
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea?
1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea has a molecular weight of 366.87 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea is sourced from PubChem (CID 2818820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).