(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide

C11H14ClFN2O3S — CID 8802546

IUPAC(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O3S/c1-3-14-11(16)7(2)15-19(17,18)8-4-5-10(13)9(12)6-8/h4-7,15H,3H2,1-2H3,(H,14,16)/t7-/m1/s1
InChIKeyJNXUHTPYVADMRV-SSDOTTSWSA-N
MW308.76 g/mol
LogP1.28
Rot. Bonds5

About (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide

(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide (PubChem CID 8802546) has the molecular formula C11H14ClFN2O3S and a molecular weight of 308.76 g/mol. Its IUPAC name is (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
PubChem CID8802546
Molecular FormulaC11H14ClFN2O3S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O3S/c1-3-14-11(16)7(2)15-19(17,18)8-4-5-10(13)9(12)6-8/h4-7,15H,3H2,1-2H3,(H,14,16)/t7-/m1/s1
InChIKeyJNXUHTPYVADMRV-SSDOTTSWSA-N
XLogP1.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]benzoic acid
CID 107089933
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-N-ethyl-2-[(2,3,4-trifluorophenyl)sulfonylamino]propanamide
CID 8802570
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43091688
(2S,3R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 93302578
2-[(3-amino-4-bromophenyl)sulfonylamino]-N-ethylpropanamide
CID 115328810
(2S)-N-ethyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)propanamide
CID 8802711
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide (CID 8802546) is (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide is CCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
The InChIKey is JNXUHTPYVADMRV-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14ClFN2O3S/c1-3-14-11(16)7(2)15-19(17,18)8-4-5-10(13)9(12)6-8/h4-7,15H,3H2,1-2H3,(H,14,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide?
(2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide has a molecular weight of 308.76 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chloro-4-fluorophenyl)sulfonylamino]-N-ethylpropanamide is sourced from PubChem (CID 8802546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).