1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea

C19H15Cl2N3O3S — CID 4171462

IUPAC1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H15Cl2N3O3S/c20-17-11-8-15(12-18(17)21)24-28(26,27)16-9-6-14(7-10-16)23-19(25)22-13-4-2-1-3-5-13/h1-12,24H,(H2,22,23,25)
InChIKeyUVPSSDRUHRDBOI-UHFFFAOYSA-N
MW436.32 g/mol
LogP5.44
Rot. Bonds5

About 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea

1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea (PubChem CID 4171462) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
PubChem CID4171462
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C19H15Cl2N3O3S/c20-17-11-8-15(12-18(17)21)24-28(26,27)16-9-6-14(7-10-16)23-19(25)22-13-4-2-1-3-5-13/h1-12,24H,(H2,22,23,25)
InChIKeyUVPSSDRUHRDBOI-UHFFFAOYSA-N
XLogP5.44
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
CID 70667544
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
1-(3,4-dichlorophenyl)-3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]thiourea
CID 19678641
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
1-[3-[(4-bromophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 24622040
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
1-(3,4-dichlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352609
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3,4,5-trihydroxybenzamide
CID 45268473
trans-(1R,2R)-2-[[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28976936
cis-(1R,2S)-2-[[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 28976930
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
N-(3,4-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 711099

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea (CID 4171462) is 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea?
The InChIKey is UVPSSDRUHRDBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c20-17-11-8-15(12-18(17)21)24-28(26,27)16-9-6-14(7-10-16)23-19(25)22-13-4-2-1-3-5-13/h1-12,24H,(H2,22,23,25).
What are the key properties of 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea?
1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea has a molecular weight of 436.32 g/mol, XLogP of 5.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 4171462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).