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

C15H15Cl2N3O3S — CID 75811590

IUPAC1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15Cl2N3O3S/c1-9(10-2-5-12(6-3-10)24(18,22)23)19-15(21)20-14-7-4-11(16)8-13(14)17/h2-9H,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeySRYBSFAAISYPCK-UHFFFAOYSA-N
MW388.28 g/mol
LogP3.52
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (PubChem CID 75811590) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
PubChem CID75811590
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15Cl2N3O3S/c1-9(10-2-5-12(6-3-10)24(18,22)23)19-15(21)20-14-7-4-11(16)8-13(14)17/h2-9H,1H3,(H2,18,22,23)(H2,19,20,21)
InChIKeySRYBSFAAISYPCK-UHFFFAOYSA-N
XLogP3.52
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 24612359
1-[1-(4-aminophenyl)ethyl]-3-(2,5-dichlorophenyl)urea
CID 43554965
1-(4-propan-2-ylphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696372
1-[4-(dimethylamino)-2-methylphenyl]-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55701761
5-chloro-2-fluoro-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 27759607
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-methyl-5-sulfamoylbenzamide
CID 26012630
1-(3-chloro-4-methoxyphenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea
CID 55696466
1-propan-2-yl-3-[(1S)-1-(4-sulfamoylphenyl)ethyl]urea
CID 25362862
1-(2-chlorophenyl)-3-[1-(4-chlorophenyl)ethyl]urea
CID 17182401
2-bromo-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 107903643
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate
CID 42984974
1-phenyl-3-[4-[(1R)-1-[(4-sulfamoylphenyl)carbamoylamino]ethyl]phenyl]urea
CID 52504623

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The IUPAC name of 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea (CID 75811590) is 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The canonical SMILES for 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is CC(NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
The InChIKey is SRYBSFAAISYPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-9(10-2-5-12(6-3-10)24(18,22)23)19-15(21)20-14-7-4-11(16)8-13(14)17/h2-9H,1H3,(H2,18,22,23)(H2,19,20,21).
What are the key properties of 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea?
1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea has a molecular weight of 388.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-3-[1-(4-sulfamoylphenyl)ethyl]urea is sourced from PubChem (CID 75811590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).