4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene

C9H13FN2O3S — CID 112686064

IUPAC4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCOc1ccc(F)cc1C(C)NS(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-6(12-16(11,13)14)8-5-7(10)3-4-9(8)15-2/h3-6,12H,1-2H3,(H2,11,13,14)
InChIKeyJSSQALQLQLKJSN-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.69
Rot. Bonds4

About 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene

4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene (PubChem CID 112686064) has the molecular formula C9H13FN2O3S and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene.

Molecular Properties

Compound Name4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
PubChem CID112686064
Molecular FormulaC9H13FN2O3S
Molecular Weight248.28 g/mol
Exact Mass248.06
IUPAC Name4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene
SMILESCOc1ccc(F)cc1C(C)NS(N)(=O)=O
InChIInChI=1S/C9H13FN2O3S/c1-6(12-16(11,13)14)8-5-7(10)3-4-9(8)15-2/h3-6,12H,1-2H3,(H2,11,13,14)
InChIKeyJSSQALQLQLKJSN-UHFFFAOYSA-N
XLogP0.69
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47372622
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N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pentan-3-amine
CID 43728729
methyl 2-[1-(5-fluoro-2-methoxyphenyl)ethylamino]butanoate
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1-propan-2-yloxy-2-[1-(sulfamoylamino)ethyl]benzene
CID 112686035
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
2-chloro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]acetamide
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3-fluoro-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133202669
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
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CID 103776734

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The IUPAC name of 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene (CID 112686064) is 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene.
What is the SMILES notation for 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The canonical SMILES for 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene is COc1ccc(F)cc1C(C)NS(N)(=O)=O.
What is the InChIKey of 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
The InChIKey is JSSQALQLQLKJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O3S/c1-6(12-16(11,13)14)8-5-7(10)3-4-9(8)15-2/h3-6,12H,1-2H3,(H2,11,13,14).
What are the key properties of 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene?
4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene has a molecular weight of 248.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methoxy-2-[1-(sulfamoylamino)ethyl]benzene is sourced from PubChem (CID 112686064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).