2-(3-fluoro-2-methylanilino)ethanesulfonamide

C9H13FN2O2S — CID 114384957

IUPAC2-(3-fluoro-2-methylanilino)ethanesulfonamide
SMILESCc1c(F)cccc1NCCS(N)(=O)=O
InChIInChI=1S/C9H13FN2O2S/c1-7-8(10)3-2-4-9(7)12-5-6-15(11,13)14/h2-4,12H,5-6H2,1H3,(H2,11,13,14)
InChIKeyBYOVGICHPMLVCE-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.83
Rot. Bonds4

About 2-(3-fluoro-2-methylanilino)ethanesulfonamide

2-(3-fluoro-2-methylanilino)ethanesulfonamide (PubChem CID 114384957) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3-fluoro-2-methylanilino)ethanesulfonamide.

Molecular Properties

Compound Name2-(3-fluoro-2-methylanilino)ethanesulfonamide
PubChem CID114384957
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name2-(3-fluoro-2-methylanilino)ethanesulfonamide
SMILESCc1c(F)cccc1NCCS(N)(=O)=O
InChIInChI=1S/C9H13FN2O2S/c1-7-8(10)3-2-4-9(7)12-5-6-15(11,13)14/h2-4,12H,5-6H2,1H3,(H2,11,13,14)
InChIKeyBYOVGICHPMLVCE-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-2-methylanilino)ethanesulfonamide 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

2-(naphthalen-1-ylamino)ethanesulfonamide
CID 114384703
3-fluoro-2-methyl-N-octylaniline
CID 55191614
2-(2-amino-4-fluoro-5-methylanilino)ethanesulfonamide
CID 103589964
2-[3-(methylamino)-2-nitroanilino]ethanesulfonamide
CID 80788563
2-fluoro-6-(3-sulfamoylpropylamino)benzoic acid
CID 79522120
3-fluoro-2-methyl-N-pent-4-ynylaniline
CID 115872054
2-(2-propylanilino)ethanesulfonamide
CID 114384948
3-(3-fluoro-2-methylanilino)-N-propan-2-ylpropanamide
CID 62623240
N-[2-(4-bromophenoxy)ethyl]-3-fluoro-2-methylaniline
CID 63490686
2-(3-bromo-2-cyanoanilino)ethanesulfonamide
CID 114880630
2-(4-fluoroanilino)ethanesulfonamide
CID 114384672
methyl 2-amino-3-(2-sulfamoylethylamino)benzoate
CID 115544871

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-methylanilino)ethanesulfonamide?
The IUPAC name of 2-(3-fluoro-2-methylanilino)ethanesulfonamide (CID 114384957) is 2-(3-fluoro-2-methylanilino)ethanesulfonamide.
What is the SMILES notation for 2-(3-fluoro-2-methylanilino)ethanesulfonamide?
The canonical SMILES for 2-(3-fluoro-2-methylanilino)ethanesulfonamide is Cc1c(F)cccc1NCCS(N)(=O)=O.
What is the InChIKey of 2-(3-fluoro-2-methylanilino)ethanesulfonamide?
The InChIKey is BYOVGICHPMLVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-7-8(10)3-2-4-9(7)12-5-6-15(11,13)14/h2-4,12H,5-6H2,1H3,(H2,11,13,14).
What are the key properties of 2-(3-fluoro-2-methylanilino)ethanesulfonamide?
2-(3-fluoro-2-methylanilino)ethanesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-methylanilino)ethanesulfonamide is sourced from PubChem (CID 114384957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).