2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide

C9H13FN2O2S — CID 16783174

IUPAC2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)CCN
InChIInChI=1S/C9H13FN2O2S/c1-7-2-3-8(10)6-9(7)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyHWVRTIGCGVXCEK-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.83
Rot. Bonds4

About 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide

2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide (PubChem CID 16783174) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
PubChem CID16783174
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)CCN
InChIInChI=1S/C9H13FN2O2S/c1-7-2-3-8(10)6-9(7)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyHWVRTIGCGVXCEK-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

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Related Compounds

4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-[5-(aminomethyl)-2-methylphenyl]propane-1-sulfonamide
CID 62103601
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
2-(aminomethyl)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 16781852
2-amino-N-(4-chloro-2-fluorophenyl)ethanesulfonamide
CID 61472414
N-(2,5-difluorophenyl)-2-hydroxyethanesulfonamide
CID 79026481
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 106031148
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide (CID 16783174) is 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
The InChIKey is HWVRTIGCGVXCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-7-2-3-8(10)6-9(7)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of 2-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide?
2-amino-N-(5-fluoro-2-methylphenyl)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-amino-N-(5-fluoro-2-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 16783174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).