(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide

C11H13F3N2O3S — CID 8802570

IUPAC(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3N2O3S/c1-3-15-11(17)6(2)16-20(18,19)8-5-4-7(12)9(13)10(8)14/h4-6,16H,3H2,1-2H3,(H,15,17)/t6-/m0/s1
InChIKeyXNSIISUJCAXRDL-LURJTMIESA-N
MW310.30 g/mol
LogP0.91
Rot. Bonds5

About (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide

(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide (PubChem CID 8802570) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
PubChem CID8802570
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Name(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
SMILESCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C11H13F3N2O3S/c1-3-15-11(17)6(2)16-20(18,19)8-5-4-7(12)9(13)10(8)14/h4-6,16H,3H2,1-2H3,(H,15,17)/t6-/m0/s1
InChIKeyXNSIISUJCAXRDL-LURJTMIESA-N
XLogP0.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
2-[(2-amino-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 43576306
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 8802546
2,3,4-trifluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502170
(2S)-2-[(2,5-difluorophenyl)sulfonylamino]-N-propylpropanamide
CID 8801007
2-[(3-amino-2,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 107343391
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
(2R)-2-[(4-ethoxy-2-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 94812873
(2S)-2-[(5-bromothiophen-2-yl)sulfonylamino]-N-ethylpropanamide
CID 8802651
(2R)-2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-ethylpropanamide
CID 8802505
2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]-N-ethylpropanamide
CID 80708583
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide (CID 8802570) is (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide is CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide?
The InChIKey is XNSIISUJCAXRDL-LURJTMIESA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-3-15-11(17)6(2)16-20(18,19)8-5-4-7(12)9(13)10(8)14/h4-6,16H,3H2,1-2H3,(H,15,17)/t6-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide?
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide has a molecular weight of 310.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 8802570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).