N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C18H12ClF4N3O4S — CID 60588960

IUPACN-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF4N3O4S/c1-9-12(8-24-30-9)17(27)25-11-3-4-15(13(7-11)18(21,22)23)26-31(28,29)16-5-2-10(20)6-14(16)19/h2-8,26H,1H3,(H,25,27)
InChIKeyCJFPPBFZHNNKOF-UHFFFAOYSA-N
MW477.82 g/mol
LogP4.85
Rot. Bonds5

About N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 60588960) has the molecular formula C18H12ClF4N3O4S and a molecular weight of 477.82 g/mol. Its IUPAC name is N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID60588960
Molecular FormulaC18H12ClF4N3O4S
Molecular Weight477.82 g/mol
Exact Mass477.02
IUPAC NameN-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H12ClF4N3O4S/c1-9-12(8-24-30-9)17(27)25-11-3-4-15(13(7-11)18(21,22)23)26-31(28,29)16-5-2-10(20)6-14(16)19/h2-8,26H,1H3,(H,25,27)
InChIKeyCJFPPBFZHNNKOF-UHFFFAOYSA-N
XLogP4.85
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.82
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864253
N-[4-[(4-carbamoylphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864760
N-[4-[(4-cyanophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864379
N-[4-[(2-fluoro-5-methylphenyl)sulfonylamino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60579060
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-(2-amino-4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 16773048
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 60588960) is N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CJFPPBFZHNNKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O4S/c1-9-12(8-24-30-9)17(27)25-11-3-4-15(13(7-11)18(21,22)23)26-31(28,29)16-5-2-10(20)6-14(16)19/h2-8,26H,1H3,(H,25,27).
What are the key properties of N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 477.82 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 60588960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).