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

C14H11FN2O3S — CID 110759634

IUPACN-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
SMILESO=S(=O)(NCc1ccccc1F)c1ccc2ncoc2c1
InChIInChI=1S/C14H11FN2O3S/c15-12-4-2-1-3-10(12)8-17-21(18,19)11-5-6-13-14(7-11)20-9-16-13/h1-7,9,17H,8H2
InChIKeyODJPCRPPWUMEBK-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.45
Rot. Bonds4

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

N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide (PubChem CID 110759634) has the molecular formula C14H11FN2O3S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
PubChem CID110759634
Molecular FormulaC14H11FN2O3S
Molecular Weight306.32 g/mol
Exact Mass306.05
IUPAC NameN-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide
SMILESO=S(=O)(NCc1ccccc1F)c1ccc2ncoc2c1
InChIInChI=1S/C14H11FN2O3S/c15-12-4-2-1-3-10(12)8-17-21(18,19)11-5-6-13-14(7-11)20-9-16-13/h1-7,9,17H,8H2
InChIKeyODJPCRPPWUMEBK-UHFFFAOYSA-N
XLogP2.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3-Benzoxazol-2-ylsulfanyl)ethyl]benzenesulfonamide
CID 555647
N-[4-[4-hydroxy-4-(2-methylpropyl)piperidine-1-carbonyl]phenyl]-1,3-benzoxazole-4-sulfonamide
CID 90419073
N,N-diethyl-2-[(4-fluorophenyl)methylthio]-1,3-benzoxazole-5-sulfonamide
CID 2369627
2-{[4-(4-Fluorobenzenesulfonyl)piperazin-1-YL]methyl}-6-methyl-1,3-benzoxazole
CID 16027974
N-[(E)-1-(1,3-benzoxazol-2-yl)ethylideneamino]-4-methylbenzenesulfonamide
CID 156014480
N-(2-fluoro-4-phenylphenyl)-1,3-benzoxazole-7-sulfonamide
CID 146545999
1,3-Benzoxazole-6-sulfonyl chloride
CID 21656478
Sulfur, 6-benzoxazolylpentafluoro-, (OC-6-21)-
CID 71669205
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-fluorobenzenesulfonamide
CID 29248068
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-fluorobenzenesulfonamide
CID 155551471
N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-fluorobenzenesulfonamide
CID 155560132
2-{1-[(2-Fluorophenyl)sulfonyl]-4-piperidinyl}-1,3-benzoxazole
CID 1430697

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide (CID 110759634) is N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide is O=S(=O)(NCc1ccccc1F)c1ccc2ncoc2c1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide?
The InChIKey is ODJPCRPPWUMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S/c15-12-4-2-1-3-10(12)8-17-21(18,19)11-5-6-13-14(7-11)20-9-16-13/h1-7,9,17H,8H2.
What are the key properties of N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide?
N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide has a molecular weight of 306.32 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110759634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).