1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea

C20H17Cl2N3O3S — CID 2983994

IUPAC1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17Cl2N3O3S/c1-13-2-3-15(22)12-19(13)25-29(27,28)18-10-8-17(9-11-18)24-20(26)23-16-6-4-14(21)5-7-16/h2-12,25H,1H3,(H2,23,24,26)
InChIKeyILMZRVOPOIXUOL-UHFFFAOYSA-N
MW450.35 g/mol
LogP5.75
Rot. Bonds5

About 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea

1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea (PubChem CID 2983994) has the molecular formula C20H17Cl2N3O3S and a molecular weight of 450.35 g/mol. Its IUPAC name is 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
PubChem CID2983994
Molecular FormulaC20H17Cl2N3O3S
Molecular Weight450.35 g/mol
Exact Mass449.04
IUPAC Name1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
SMILESCc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H17Cl2N3O3S/c1-13-2-3-15(22)12-19(13)25-29(27,28)18-10-8-17(9-11-18)24-20(26)23-16-6-4-14(21)5-7-16/h2-12,25H,1H3,(H2,23,24,26)
InChIKeyILMZRVOPOIXUOL-UHFFFAOYSA-N
XLogP5.75
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.35
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249
1-(5-chloro-2-methylphenyl)-3-(4-methylphenyl)urea
CID 4577351
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
1-(3-chlorophenyl)-3-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]urea
CID 2224609
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353526
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
4-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopropylbenzamide
CID 109058338

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea (CID 2983994) is 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea is Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea?
The InChIKey is ILMZRVOPOIXUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3S/c1-13-2-3-15(22)12-19(13)25-29(27,28)18-10-8-17(9-11-18)24-20(26)23-16-6-4-14(21)5-7-16/h2-12,25H,1H3,(H2,23,24,26).
What are the key properties of 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea?
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea has a molecular weight of 450.35 g/mol, XLogP of 5.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 2983994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).