5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C10H13FN6O2S — CID 106051346

IUPAC5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(CN)ccc1F)c1nn[nH]n1
InChIInChI=1S/C10H13FN6O2S/c1-6(10-13-16-17-14-10)15-20(18,19)9-4-7(5-12)2-3-8(9)11/h2-4,6,15H,5,12H2,1H3,(H,13,14,16,17)
InChIKeyXPLCHZURGLODBO-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.16
Rot. Bonds5

About 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106051346) has the molecular formula C10H13FN6O2S and a molecular weight of 300.32 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106051346
Molecular FormulaC10H13FN6O2S
Molecular Weight300.32 g/mol
Exact Mass300.08
IUPAC Name5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(CN)ccc1F)c1nn[nH]n1
InChIInChI=1S/C10H13FN6O2S/c1-6(10-13-16-17-14-10)15-20(18,19)9-4-7(5-12)2-3-8(9)11/h2-4,6,15H,5,12H2,1H3,(H,13,14,16,17)
InChIKeyXPLCHZURGLODBO-UHFFFAOYSA-N
XLogP-0.16
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051400
3-fluoro-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]benzoic acid
CID 79177706
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
3-(aminomethyl)-2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051329
5-(aminomethyl)-2-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 106003394
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107650040
5-amino-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 62158794
4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106919313
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
5-(aminomethyl)-N-(1-cyclopentylethyl)-2-fluorobenzenesulfonamide
CID 106066036

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 106051346) is 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(CN)ccc1F)c1nn[nH]n1.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is XPLCHZURGLODBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN6O2S/c1-6(10-13-16-17-14-10)15-20(18,19)9-4-7(5-12)2-3-8(9)11/h2-4,6,15H,5,12H2,1H3,(H,13,14,16,17).
What are the key properties of 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 300.32 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106051346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).