N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C14H11FN2O4S — CID 611342

IUPACN-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C14H11FN2O4S/c1-17-12-7-6-9(8-13(12)21-14(17)18)22(19,20)16-11-5-3-2-4-10(11)15/h2-8,16H,1H3
InChIKeyROHREOIMKNXQJN-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.07
Rot. Bonds3

About N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 611342) has the molecular formula C14H11FN2O4S and a molecular weight of 322.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
PubChem CID611342
Molecular FormulaC14H11FN2O4S
Molecular Weight322.32 g/mol
Exact Mass322.04
IUPAC NameN-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21
InChIInChI=1S/C14H11FN2O4S/c1-17-12-7-6-9(8-13(12)21-14(17)18)22(19,20)16-11-5-3-2-4-10(11)15/h2-8,16H,1H3
InChIKeyROHREOIMKNXQJN-UHFFFAOYSA-N
XLogP2.07
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Methyl-2-oxo-N-phenyl-2,3-dihydro-1,3-benzoxazole-6-sulfonamide
CID 564213
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 728803
3-[2-Oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid
CID 7131707
2,3-Dihydro-2-oxobenzoxazole-6-sulphonamide
CID 89878
N-[4-(3-Methyl-2-oxo-2,3-dihydro-benzooxazole-6-sulfonylamino)-phenyl]-acetamide
CID 1093454
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
CID 1093455
3-Methyl-6-(4-methyl-piperidine-1-sulfonyl)-3H-benzooxazol-2-one
CID 1093465
N-cyclohexyl-N-methyl-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonamide
CID 1828480
6-(2,3-Dihydroindol-1-ylsulfonyl)-3-methyl-1,3-benzoxazol-2-one
CID 1965778
6-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 3379018
2-Oxo-6-(piperidine-1-sulfonyl)-benzooxazole-3-carboxylic acid ethyl ester
CID 558625
3-Methyl-6-(morpholine-4-sulfonyl)-3H-benzooxazol-2-one
CID 559418

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 611342) is N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3F)ccc21.
What is the InChIKey of N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ROHREOIMKNXQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O4S/c1-17-12-7-6-9(8-13(12)21-14(17)18)22(19,20)16-11-5-3-2-4-10(11)15/h2-8,16H,1H3.
What are the key properties of N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?
N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 322.32 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 611342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).