2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide

C12H17FN2O2S — CID 114141631

IUPAC2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)CCNC2CC2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-6-10(13)8-12(7-9)15-18(16,17)5-4-14-11-2-3-11/h6-8,11,14-15H,2-5H2,1H3
InChIKeyPVPKHRSYNPAHKA-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.63
Rot. Bonds6

About 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide

2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide (PubChem CID 114141631) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
PubChem CID114141631
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)CCNC2CC2)c1
InChIInChI=1S/C12H17FN2O2S/c1-9-6-10(13)8-12(7-9)15-18(16,17)5-4-14-11-2-3-11/h6-8,11,14-15H,2-5H2,1H3
InChIKeyPVPKHRSYNPAHKA-UHFFFAOYSA-N
XLogP1.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106089298
N-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948
2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 106074519
2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 106059440
2-(cyclopropylamino)-N-(2,6-difluorophenyl)ethanesulfonamide
CID 114134282
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-(3,5-difluorophenyl)-2-(propylamino)ethanesulfonamide
CID 114132499
N-(2-bromo-4-methylphenyl)-3-(cyclopropylamino)propane-1-sulfonamide
CID 106043185
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
2-(cyclopropylamino)-N-(2,4-dibromo-5-methoxyphenyl)ethanesulfonamide
CID 106087240
3-fluoro-5-methyl-N-(2-propylsulfonylethyl)aniline
CID 106723957

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide (CID 114141631) is 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide is Cc1cc(F)cc(NS(=O)(=O)CCNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide?
The InChIKey is PVPKHRSYNPAHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-9-6-10(13)8-12(7-9)15-18(16,17)5-4-14-11-2-3-11/h6-8,11,14-15H,2-5H2,1H3.
What are the key properties of 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide?
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide is sourced from PubChem (CID 114141631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).