1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea

C22H21F2N3O3S — CID 47005881

IUPAC1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Nc3ccc(F)cc3F)c2)c(C)c1
InChIInChI=1S/C22H21F2N3O3S/c1-13-4-8-19(15(3)10-13)27-31(29,30)17-7-5-14(2)21(12-17)26-22(28)25-20-9-6-16(23)11-18(20)24/h4-12,27H,1-3H3,(H2,25,26,28)
InChIKeyPRGKLQXWIZKNSU-UHFFFAOYSA-N
MW445.49 g/mol
LogP5.33
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea

1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea (PubChem CID 47005881) has the molecular formula C22H21F2N3O3S and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea
PubChem CID47005881
Molecular FormulaC22H21F2N3O3S
Molecular Weight445.49 g/mol
Exact Mass445.13
IUPAC Name1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea
SMILESCc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Nc3ccc(F)cc3F)c2)c(C)c1
InChIInChI=1S/C22H21F2N3O3S/c1-13-4-8-19(15(3)10-13)27-31(29,30)17-7-5-14(2)21(12-17)26-22(28)25-20-9-6-16(23)11-18(20)24/h4-12,27H,1-3H3,(H2,25,26,28)
InChIKeyPRGKLQXWIZKNSU-UHFFFAOYSA-N
XLogP5.33
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.49
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)-3-(5-fluoro-2-methylphenyl)urea
CID 46859678
1-(2,4-difluorophenyl)-3-(4-fluoro-2-methylphenyl)urea
CID 17263659
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
3-[(2,4-difluorophenyl)carbamoylamino]-4-methylbenzoic acid
CID 1297024
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7553514
5-bromo-N-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 5225975
3-[(2,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 109065763

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea (CID 47005881) is 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea is Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Nc3ccc(F)cc3F)c2)c(C)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea?
The InChIKey is PRGKLQXWIZKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S/c1-13-4-8-19(15(3)10-13)27-31(29,30)17-7-5-14(2)21(12-17)26-22(28)25-20-9-6-16(23)11-18(20)24/h4-12,27H,1-3H3,(H2,25,26,28).
What are the key properties of 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea?
1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea has a molecular weight of 445.49 g/mol, XLogP of 5.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[5-[(2,4-dimethylphenyl)sulfamoyl]-2-methylphenyl]urea is sourced from PubChem (CID 47005881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).