N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide

C23H17ClFN3O4S — CID 166755163

IUPACN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide
SMILESCc1ccccc1-c1cnc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)o1
InChIInChI=1S/C23H17ClFN3O4S/c1-14-4-2-3-5-18(14)20-13-26-23(32-20)22(29)27-17-10-11-19(25)21(12-17)33(30,31)28-16-8-6-15(24)7-9-16/h2-13,28H,1H3,(H,27,29)
InChIKeyQPZWYTNPEJFGMU-UHFFFAOYSA-N
MW485.92 g/mol
LogP5.50
Rot. Bonds6

About N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide

N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide (PubChem CID 166755163) has the molecular formula C23H17ClFN3O4S and a molecular weight of 485.92 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide
PubChem CID166755163
Molecular FormulaC23H17ClFN3O4S
Molecular Weight485.92 g/mol
Exact Mass485.06
IUPAC NameN-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide
SMILESCc1ccccc1-c1cnc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)o1
InChIInChI=1S/C23H17ClFN3O4S/c1-14-4-2-3-5-18(14)20-13-26-23(32-20)22(29)27-17-10-11-19(25)21(12-17)33(30,31)28-16-8-6-15(24)7-9-16/h2-13,28H,1H3,(H,27,29)
InChIKeyQPZWYTNPEJFGMU-UHFFFAOYSA-N
XLogP5.50
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.92
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2-methylphenyl)-1H-imidazole-5-carboxamide
CID 156860021
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-2,6-difluorobenzamide
CID 36772113
ethyl (E)-3-[2-[(4-chloroanilino)-dihydroxy-λ4-sulfanyl]-4-[(5-phenyl-1,3-oxazole-2-carbonyl)amino]phenyl]prop-2-enoate
CID 156859640
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 168786225
1,3-bis[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]urea
CID 90145577
5-chloro-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 141028077
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-(3,4-dimethylphenyl)benzamide
CID 100512790
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 3340869
N-[3-[(3-cyanophenyl)sulfamoyl]-4-methoxyphenyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 156859975
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-oxo-4-phenylbutanamide
CID 42988703
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-nitrofuran-2-carboxamide
CID 112789454
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methylphenyl]-3-methyl-2-nitrobenzamide
CID 31302777

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide (CID 166755163) is N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide is Cc1ccccc1-c1cnc(C(=O)Nc2ccc(F)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)o1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide?
The InChIKey is QPZWYTNPEJFGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O4S/c1-14-4-2-3-5-18(14)20-13-26-23(32-20)22(29)27-17-10-11-19(25)21(12-17)33(30,31)28-16-8-6-15(24)7-9-16/h2-13,28H,1H3,(H,27,29).
What are the key properties of N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide?
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide has a molecular weight of 485.92 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-5-(2-methylphenyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 166755163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).