3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide

C15H11F3N2O5S — CID 55559647

IUPAC3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2O5S/c1-20-11-7-6-9(8-13(11)24-14(20)21)26(22,23)19-10-4-2-3-5-12(10)25-15(16,17)18/h2-8,19H,1H3
InChIKeyNXBCAJJCCVCMPO-UHFFFAOYSA-N
MW388.32 g/mol
LogP2.83
Rot. Bonds4

About 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 55559647) has the molecular formula C15H11F3N2O5S and a molecular weight of 388.32 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
PubChem CID55559647
Molecular FormulaC15H11F3N2O5S
Molecular Weight388.32 g/mol
Exact Mass388.03
IUPAC Name3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)ccc21
InChIInChI=1S/C15H11F3N2O5S/c1-20-11-7-6-9(8-13(11)24-14(20)21)26(22,23)19-10-4-2-3-5-12(10)25-15(16,17)18/h2-8,19H,1H3
InChIKeyNXBCAJJCCVCMPO-UHFFFAOYSA-N
XLogP2.83
TPSA90.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-ethoxyphenoxy)phenyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713533
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
3-methyl-N-[2-(N-methylanilino)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55729737
3-methyl-2-oxo-N-(2-oxo-1H-pyridin-3-yl)-1,3-benzoxazole-6-sulfonamide
CID 110727203
N-(2-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 110760844
3,4-dichloro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3460603
3-methyl-2-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,3-benzoxazole-6-sulfonamide
CID 666515
N-(4-tert-butylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713117
4-ethyl-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 3503977
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55560014
3,4-dimethoxy-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 20962046
N-(5-ethyl-2-methylphenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110424716

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide (CID 55559647) is 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is NXBCAJJCCVCMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O5S/c1-20-11-7-6-9(8-13(11)24-14(20)21)26(22,23)19-10-4-2-3-5-12(10)25-15(16,17)18/h2-8,19H,1H3.
What are the key properties of 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 388.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-[2-(trifluoromethoxy)phenyl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 55559647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).