2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C11H15FN6O2S — CID 106051400

IUPAC2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2nn[nH]n2)c(F)c1
InChIInChI=1S/C11H15FN6O2S/c1-7(11-14-17-18-15-11)16-21(19,20)10-4-3-8(6-13-2)5-9(10)12/h3-5,7,13,16H,6H2,1-2H3,(H,14,15,17,18)
InChIKeyWLJUWQFWIOTEPG-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.10
Rot. Bonds6

About 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106051400) has the molecular formula C11H15FN6O2S and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106051400
Molecular FormulaC11H15FN6O2S
Molecular Weight314.35 g/mol
Exact Mass314.10
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NC(C)c2nn[nH]n2)c(F)c1
InChIInChI=1S/C11H15FN6O2S/c1-7(11-14-17-18-15-11)16-21(19,20)10-4-3-8(6-13-2)5-9(10)12/h3-5,7,13,16H,6H2,1-2H3,(H,14,15,17,18)
InChIKeyWLJUWQFWIOTEPG-UHFFFAOYSA-N
XLogP0.10
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]benzoic acid
CID 79177706
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
1-[4-(methylaminomethyl)phenyl]-N-[1-(2H-tetrazol-5-yl)ethyl]methanesulfonamide
CID 106051448
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107650040
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
2-amino-5-bromo-4-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106491683
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
2-fluoro-4-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083931
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
5-amino-2-nitro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 62158794

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 106051400) is 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is CNCc1ccc(S(=O)(=O)NC(C)c2nn[nH]n2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is WLJUWQFWIOTEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6O2S/c1-7(11-14-17-18-15-11)16-21(19,20)10-4-3-8(6-13-2)5-9(10)12/h3-5,7,13,16H,6H2,1-2H3,(H,14,15,17,18).
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 314.35 g/mol, XLogP of 0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106051400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).