2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide

C11H11F5N2O2S — CID 106074519

IUPAC2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O2S/c12-6-7(13)9(15)11(10(16)8(6)14)18-21(19,20)4-3-17-5-1-2-5/h5,17-18H,1-4H2
InChIKeyBJUMHISYCVVKPG-UHFFFAOYSA-N
MW330.28 g/mol
LogP1.88
Rot. Bonds6

About 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide

2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide (PubChem CID 106074519) has the molecular formula C11H11F5N2O2S and a molecular weight of 330.28 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
PubChem CID106074519
Molecular FormulaC11H11F5N2O2S
Molecular Weight330.28 g/mol
Exact Mass330.05
IUPAC Name2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
SMILESO=S(=O)(CCNC1CC1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H11F5N2O2S/c12-6-7(13)9(15)11(10(16)8(6)14)18-21(19,20)4-3-17-5-1-2-5/h5,17-18H,1-4H2
InChIKeyBJUMHISYCVVKPG-UHFFFAOYSA-N
XLogP1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.28
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-N-(2,6-difluorophenyl)ethanesulfonamide
CID 114134282
2-(cyclopropylamino)-N-(3-fluoro-5-methylphenyl)ethanesulfonamide
CID 114141631
2-(cyclopropylamino)-N-(2,2-difluoroethyl)ethanesulfonamide
CID 115409138
2-(cyclopropylamino)-N-(4-pyrrolidin-1-ylphenyl)ethanesulfonamide
CID 106062321
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide
CID 3375683
CID 58917870
CID 58917870
2-(cyclopropylamino)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 106059440
4-(cyclopropylamino)-N-(3,4-difluorophenyl)butane-1-sulfonamide
CID 106060068
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
N-(3-chloro-5-fluorophenyl)-4-(cyclopropylamino)butane-1-sulfonamide
CID 106087948
2-(cyclopropylamino)-N-(2,3-dihydro-1H-inden-2-yl)ethanesulfonamide
CID 106087839

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
The IUPAC name of 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide (CID 106074519) is 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide is O=S(=O)(CCNC1CC1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
The InChIKey is BJUMHISYCVVKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2O2S/c12-6-7(13)9(15)11(10(16)8(6)14)18-21(19,20)4-3-17-5-1-2-5/h5,17-18H,1-4H2.
What are the key properties of 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide?
2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide has a molecular weight of 330.28 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(2,3,4,5,6-pentafluorophenyl)ethanesulfonamide is sourced from PubChem (CID 106074519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).