2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide

C12H17FN2O3S — CID 106071796

IUPAC2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(F)c(NS(=O)(=O)CCNC2CC2)c1
InChIInChI=1S/C12H17FN2O3S/c1-18-10-4-5-11(13)12(8-10)15-19(16,17)7-6-14-9-2-3-9/h4-5,8-9,14-15H,2-3,6-7H2,1H3
InChIKeyWQRONDGJQWGPMW-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.33
Rot. Bonds7

About 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide

2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide (PubChem CID 106071796) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
PubChem CID106071796
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(F)c(NS(=O)(=O)CCNC2CC2)c1
InChIInChI=1S/C12H17FN2O3S/c1-18-10-4-5-11(13)12(8-10)15-19(16,17)7-6-14-9-2-3-9/h4-5,8-9,14-15H,2-3,6-7H2,1H3
InChIKeyWQRONDGJQWGPMW-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide (CID 106071796) is 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide is COc1ccc(F)c(NS(=O)(=O)CCNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide?
The InChIKey is WQRONDGJQWGPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-10-4-5-11(13)12(8-10)15-19(16,17)7-6-14-9-2-3-9/h4-5,8-9,14-15H,2-3,6-7H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide?
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 106071796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).