1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea

C13H10Cl3N3O3S — CID 90644504

IUPAC1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3O3S/c14-7-1-3-8(4-2-7)18-13(20)19-11-6-12(23(17,21)22)10(16)5-9(11)15/h1-6H,(H2,17,21,22)(H2,18,19,20)
InChIKeyUSAVLGKQKOQPNX-UHFFFAOYSA-N
MW394.67 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea

1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea (PubChem CID 90644504) has the molecular formula C13H10Cl3N3O3S and a molecular weight of 394.67 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea
PubChem CID90644504
Molecular FormulaC13H10Cl3N3O3S
Molecular Weight394.67 g/mol
Exact Mass392.95
IUPAC Name1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea
SMILESNS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl
InChIInChI=1S/C13H10Cl3N3O3S/c14-7-1-3-8(4-2-7)18-13(20)19-11-6-12(23(17,21)22)10(16)5-9(11)15/h1-6H,(H2,17,21,22)(H2,18,19,20)
InChIKeyUSAVLGKQKOQPNX-UHFFFAOYSA-N
XLogP3.94
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.67
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-(2,4,5-trichlorophenyl)urea
CID 3251975
1-(2-chloro-4-cyanophenyl)-3-(4-chlorophenyl)urea
CID 107808212
4-chloro-N-(2,4-dichlorophenyl)-2-fluoro-5-sulfamoylbenzamide
CID 100913416
1-(2-chlorophenyl)-3-(2-sulfamoylphenyl)urea
CID 61131953
1-(4-acetylphenyl)-3-(2,4-dichlorophenyl)urea
CID 17283819
1-(4-amino-3-chlorophenyl)-3-(2,5-dichlorophenyl)urea
CID 82861443
4-[(4-chlorophenyl)carbamoylamino]benzamide
CID 730344
N-(5-chloro-2,4-disulfamoylphenyl)-2-methylpropanamide
CID 71418116
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-(2,5-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
CID 108886172
1-(2-chloro-4-methylphenyl)-3-(4-methylphenyl)urea
CID 46860275
1-[5-tert-butyl-3-[(4-chlorophenyl)carbamoylamino]-2-ethylphenyl]-3-(4-chlorophenyl)urea
CID 3600875

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea (CID 90644504) is 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea is NS(=O)(=O)c1cc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
The InChIKey is USAVLGKQKOQPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3N3O3S/c14-7-1-3-8(4-2-7)18-13(20)19-11-6-12(23(17,21)22)10(16)5-9(11)15/h1-6H,(H2,17,21,22)(H2,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea?
1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea has a molecular weight of 394.67 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2,4-dichloro-5-sulfamoylphenyl)urea is sourced from PubChem (CID 90644504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).