N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide

C16H15FN2O3S — CID 110760529

IUPACN-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCCc3ccccc3F)ccc2o1
InChIInChI=1S/C16H15FN2O3S/c1-11-19-15-10-13(6-7-16(15)22-11)23(20,21)18-9-8-12-4-2-3-5-14(12)17/h2-7,10,18H,8-9H2,1H3
InChIKeyHJQIDXYMTRPCEJ-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.80
Rot. Bonds5

About N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide

N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760529) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
PubChem CID110760529
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)NCCc3ccccc3F)ccc2o1
InChIInChI=1S/C16H15FN2O3S/c1-11-19-15-10-13(6-7-16(15)22-11)23(20,21)18-9-8-12-4-2-3-5-14(12)17/h2-7,10,18H,8-9H2,1H3
InChIKeyHJQIDXYMTRPCEJ-UHFFFAOYSA-N
XLogP2.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
2-ethylsulfanyl-N-[2-(2-fluorophenyl)ethyl]-1,3-benzothiazole-6-sulfonamide
CID 142682317
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
3-chloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 18190650
4-bromo-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 9300920
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-sulfonamide
CID 110760524
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-disulfonamide
CID 43816068
N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 9301017
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390579

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide (CID 110760529) is N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)NCCc3ccccc3F)ccc2o1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is HJQIDXYMTRPCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c1-11-19-15-10-13(6-7-16(15)22-11)23(20,21)18-9-8-12-4-2-3-5-14(12)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide?
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).