2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide

C9H13FN2O3S — CID 114839213

IUPAC2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCN)ccc1F
InChIInChI=1S/C9H13FN2O3S/c1-15-9-6-7(2-3-8(9)10)12-16(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyASUCKXQWQCCRPF-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.53
Rot. Bonds5

About 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide

2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide (PubChem CID 114839213) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
PubChem CID114839213
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CCN)ccc1F
InChIInChI=1S/C9H13FN2O3S/c1-15-9-6-7(2-3-8(9)10)12-16(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3
InChIKeyASUCKXQWQCCRPF-UHFFFAOYSA-N
XLogP0.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106086490
N-(4-amino-3-methoxyphenyl)propane-1-sulfonamide
CID 43604998
N'-(4-fluoro-3-methoxyphenyl)ethane-1,2-diamine
CID 114839038
N-(4-fluoro-3-methoxyphenyl)-1-hydroxypropane-2-sulfonamide
CID 114135666
2-(aminomethyl)-N-(4-fluoro-3-methoxyphenyl)-4-methylthiophene-3-sulfonamide
CID 106086480
2-amino-N-(3,5-difluorophenyl)ethanesulfonamide
CID 16792909
4-amino-N-(3,4,5-trimethoxyphenyl)butane-1-sulfonamide
CID 61456060
N-(4-chloro-3-methoxyphenyl)propane-1-sulfonamide
CID 107623369
3-amino-N-(4-fluoro-3-methylphenyl)propane-1-sulfonamide
CID 62813181
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide (CID 114839213) is 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide is COc1cc(NS(=O)(=O)CCN)ccc1F.
What is the InChIKey of 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide?
The InChIKey is ASUCKXQWQCCRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-15-9-6-7(2-3-8(9)10)12-16(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3.
What are the key properties of 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide?
2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide has a molecular weight of 248.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-fluoro-3-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 114839213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).