1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

C15H15Cl2N3O3S — CID 108989685

IUPAC1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O3S/c16-12-2-1-3-13(17)14(12)20-15(21)19-9-8-10-4-6-11(7-5-10)24(18,22)23/h1-7H,8-9H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyCESCMOJZZZFVKZ-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.01
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea

1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 108989685) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID108989685
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C15H15Cl2N3O3S/c16-12-2-1-3-13(17)14(12)20-15(21)19-9-8-10-4-6-11(7-5-10)24(18,22)23/h1-7H,8-9H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyCESCMOJZZZFVKZ-UHFFFAOYSA-N
XLogP3.01
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-(4-chloro-3-fluorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 51116721
1-(2,6-dichlorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 108902007
N-[4-[2-(4-sulfamoylphenyl)ethylcarbamoylamino]phenyl]acetamide
CID 108989678
1-(3-methylsulfanylphenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 25041397
1-(4-phenylbutyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 118398414
(E)-3-(2-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 1346266
1-phenyl-3-[3-(4-sulfamoylphenyl)propyl]urea
CID 110293756
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
2-[(2-chlorophenyl)methylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 108997936

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 108989685) is 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is CESCMOJZZZFVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c16-12-2-1-3-13(17)14(12)20-15(21)19-9-8-10-4-6-11(7-5-10)24(18,22)23/h1-7H,8-9H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 388.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 108989685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).