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

C20H17Cl2N3O3S — CID 70667544

IUPAC1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H17Cl2N3O3S/c1-13-5-7-14(8-6-13)23-20(26)24-15-3-2-4-17(11-15)29(27,28)25-16-9-10-18(21)19(22)12-16/h2-12,25H,1H3,(H2,23,24,26)
InChIKeyIUHWCTJJMFVDOK-UHFFFAOYSA-N
MW450.35 g/mol
LogP5.75
Rot. Bonds5

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

1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea (PubChem CID 70667544) has the molecular formula C20H17Cl2N3O3S and a molecular weight of 450.35 g/mol. Its IUPAC name is 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
PubChem CID70667544
Molecular FormulaC20H17Cl2N3O3S
Molecular Weight450.35 g/mol
Exact Mass449.04
IUPAC Name1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1
InChIInChI=1S/C20H17Cl2N3O3S/c1-13-5-7-14(8-6-13)23-20(26)24-15-3-2-4-17(11-15)29(27,28)25-16-9-10-18(21)19(22)12-16/h2-12,25H,1H3,(H2,23,24,26)
InChIKeyIUHWCTJJMFVDOK-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

1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
CID 4171462
1-[3-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-3-methylurea
CID 36511529
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-(3-methylphenyl)urea
CID 4830051
1-(3-chlorophenyl)-3-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]urea
CID 1226691
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
N-(3-acetylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3702970
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
3-[(3,4-dichlorophenyl)sulfonylamino]-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 24635607

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea (CID 70667544) is 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1.
What is the InChIKey of 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
The InChIKey is IUHWCTJJMFVDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3S/c1-13-5-7-14(8-6-13)23-20(26)24-15-3-2-4-17(11-15)29(27,28)25-16-9-10-18(21)19(22)12-16/h2-12,25H,1H3,(H2,23,24,26).
What are the key properties of 1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea?
1-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)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-[3-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 70667544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).