2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide

C9H11F3N2O2S — CID 62809009

IUPAC2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C9H11F3N2O2S/c1-13-2-3-17(15,16)14-9-5-7(11)6(10)4-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKeyFJMFBBMKOCSUCA-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.07
Rot. Bonds5

About 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide

2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide (PubChem CID 62809009) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide
PubChem CID62809009
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide
SMILESCNCCS(=O)(=O)Nc1cc(F)c(F)cc1F
InChIInChI=1S/C9H11F3N2O2S/c1-13-2-3-17(15,16)14-9-5-7(11)6(10)4-8(9)12/h4-5,13-14H,2-3H2,1H3
InChIKeyFJMFBBMKOCSUCA-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-difluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 114141081
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
N-(4-bromo-2,5-difluorophenyl)-3-methylbutane-1-sulfonamide
CID 103844052
N-(2,4-difluoro-5-nitrophenyl)propane-1-sulfonamide
CID 60731623
4-(methylamino)-N-(2,4,6-trifluorophenyl)butane-1-sulfonamide
CID 106069515
N-(4-fluoro-2-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 114132436
N-(4-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 60640735
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
2-(cyclopropylamino)-N-(2-fluoro-5-methoxyphenyl)ethanesulfonamide
CID 106071796
4,5-difluoro-2-(2-methylsulfonylethylsulfonylamino)benzoic acid
CID 63245135
5-(2-chloroethylsulfonylamino)-2,4-difluorobenzoic acid
CID 107651242
N-(4-bromo-2,6-difluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 106066644

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide?
The IUPAC name of 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide (CID 62809009) is 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide.
What is the SMILES notation for 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide?
The canonical SMILES for 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide is CNCCS(=O)(=O)Nc1cc(F)c(F)cc1F.
What is the InChIKey of 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide?
The InChIKey is FJMFBBMKOCSUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c1-13-2-3-17(15,16)14-9-5-7(11)6(10)4-8(9)12/h4-5,13-14H,2-3H2,1H3.
What are the key properties of 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide?
2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2,4,5-trifluorophenyl)ethanesulfonamide is sourced from PubChem (CID 62809009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).