N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide

C11H14FN5O2S — CID 56790484

IUPACN-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide
SMILESCc1cc(-c2nnn(CCNS(C)(=O)=O)n2)ccc1F
InChIInChI=1S/C11H14FN5O2S/c1-8-7-9(3-4-10(8)12)11-14-16-17(15-11)6-5-13-20(2,18)19/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFBCAYDWDNCKRRX-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.34
Rot. Bonds5

About N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide

N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide (PubChem CID 56790484) has the molecular formula C11H14FN5O2S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide
PubChem CID56790484
Molecular FormulaC11H14FN5O2S
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC NameN-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide
SMILESCc1cc(-c2nnn(CCNS(C)(=O)=O)n2)ccc1F
InChIInChI=1S/C11H14FN5O2S/c1-8-7-9(3-4-10(8)12)11-14-16-17(15-11)6-5-13-20(2,18)19/h3-4,7,13H,5-6H2,1-2H3
InChIKeyFBCAYDWDNCKRRX-UHFFFAOYSA-N
XLogP0.34
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide (CID 56790484) is N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide is Cc1cc(-c2nnn(CCNS(C)(=O)=O)n2)ccc1F.
What is the InChIKey of N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide?
The InChIKey is FBCAYDWDNCKRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2S/c1-8-7-9(3-4-10(8)12)11-14-16-17(15-11)6-5-13-20(2,18)19/h3-4,7,13H,5-6H2,1-2H3.
What are the key properties of N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide?
N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide has a molecular weight of 299.33 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-fluoro-3-methylphenyl)tetrazol-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 56790484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).