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

C15H15Cl2N3O3S — CID 2242987

IUPAC1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N3O3S/c16-13-6-3-11(9-14(13)17)20-15(21)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyLSESMKFQZCLEEO-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.01
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 2242987) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
PubChem CID2242987
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H15Cl2N3O3S/c16-13-6-3-11(9-14(13)17)20-15(21)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H2,19,20,21)
InChIKeyLSESMKFQZCLEEO-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-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Benzenesulfonamide, 4-[[[(phenylamino)carbonyl]amino]methyl]-
CID 10614528
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
1-[4-Chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 60446869
1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[(4-sulfamoylphenyl)methyl]urea
CID 127573780
1-[Amino-(4-methylphenyl)-oxo-lambda6-sulfanylidene]-3-(4-chlorophenyl)urea
CID 9818654
N-(3,4-Dichlorophenyl)-N'-(2-phenylethyl)urea
CID 742650
1-Benzyl-3-(3,4-dichlorophenyl)urea
CID 853757
1-Benzyl-3-(3,4-dichlorophenyl)-1-methylurea
CID 307049
N-(3,4-dichlorophenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 2380645
4-(2-{[({[(3,4-Dichlorophenyl)amino]carbonyl}amino)carbonothioyl]amino}ethyl)benzenesulfonamide
CID 10765823
1-(3,4-Dichlorophenyl)-3-[[4-[(naphthalen-1-ylsulfonylamino)methyl]cyclohexyl]methyl]urea
CID 44295115

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea (CID 2242987) is 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is LSESMKFQZCLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c16-13-6-3-11(9-14(13)17)20-15(21)19-8-7-10-1-4-12(5-2-10)24(18,22)23/h1-6,9H,7-8H2,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea?
1-(3,4-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-(3,4-dichlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 2242987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).