1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea

C22H20FN3O3S — CID 90101614

IUPAC1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1
InChIInChI=1S/C22H20FN3O3S/c23-19-8-4-5-9-20(19)24-22(27)25-21-14-17(30(28,29)26-16-10-11-16)12-13-18(21)15-6-2-1-3-7-15/h1-9,12-14,16,26H,10-11H2,(H2,24,25,27)
InChIKeyKVCMHVUROLHQQR-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.58
Rot. Bonds6

About 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea

1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea (PubChem CID 90101614) has the molecular formula C22H20FN3O3S and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea
PubChem CID90101614
Molecular FormulaC22H20FN3O3S
Molecular Weight425.49 g/mol
Exact Mass425.12
IUPAC Name1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea
SMILESO=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1
InChIInChI=1S/C22H20FN3O3S/c23-19-8-4-5-9-20(19)24-22(27)25-21-14-17(30(28,29)26-16-10-11-16)12-13-18(21)15-6-2-1-3-7-15/h1-9,12-14,16,26H,10-11H2,(H2,24,25,27)
InChIKeyKVCMHVUROLHQQR-UHFFFAOYSA-N
XLogP4.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-3-(2-(4-sulfamoylphenyl)ethyl)urea
CID 4229592
Agi-6780
CID 71299339
3-(3-Methyl-3-phenethylureido)benzenesulfonamide
CID 157049317
1-(3,5-Dimethylphenyl)-3-[5-(dimethylsulfamoyl)-2-methylphenyl]urea
CID 2812298
4-(3-Benzhydrylureido)Benzenesulfonamide
CID 27869350
4-(3-Biphenyl-2-ylureido)benzenesulfonamide
CID 51356010
1-(2-Propan-2-ylphenyl)-3-(3-sulfamoylphenyl)urea
CID 56836444
6-(cyclopropylsulfamoyl)-2-methyl-N-(4-phenylphenyl)-2,3-dihydroindole-1-carboxamide
CID 135204721
2-methyl-N-(4-phenylphenyl)-6-sulfamoyl-2,3-dihydroindole-1-carboxamide
CID 142032479
1-(2-Phenylethyl)-3-(3-sulfamoylphenyl)urea
CID 38157008
1-[4-[1-[(5-Fluoro-2-methylphenyl)sulfonylamino]propan-2-yl]phenyl]-3-(3-fluorophenyl)urea
CID 44529968
1-(4-Fluorophenyl)-3-[4-[(4-sulfamoylphenyl)methylselanyl]phenyl]urea
CID 145972719

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea (CID 90101614) is 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea is O=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)NC2CC2)ccc1-c1ccccc1.
What is the InChIKey of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea?
The InChIKey is KVCMHVUROLHQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S/c23-19-8-4-5-9-20(19)24-22(27)25-21-14-17(30(28,29)26-16-10-11-16)12-13-18(21)15-6-2-1-3-7-15/h1-9,12-14,16,26H,10-11H2,(H2,24,25,27).
What are the key properties of 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea?
1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea has a molecular weight of 425.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropylsulfamoyl)-2-phenylphenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 90101614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).