N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide

C12H15ClFNO3S — CID 173273757

IUPACN-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide
SMILESCCS(=O)(=O)N(C(=O)C(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO3S/c1-4-19(17,18)15(12(16)8(2)3)11-6-5-9(14)7-10(11)13/h5-8H,4H2,1-3H3
InChIKeyMYZJMXZKAHCFDD-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.82
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide

N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide (PubChem CID 173273757) has the molecular formula C12H15ClFNO3S and a molecular weight of 307.77 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide
PubChem CID173273757
Molecular FormulaC12H15ClFNO3S
Molecular Weight307.77 g/mol
Exact Mass307.04
IUPAC NameN-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide
SMILESCCS(=O)(=O)N(C(=O)C(C)C)c1ccc(F)cc1Cl
InChIInChI=1S/C12H15ClFNO3S/c1-4-19(17,18)15(12(16)8(2)3)11-6-5-9(14)7-10(11)13/h5-8H,4H2,1-3H3
InChIKeyMYZJMXZKAHCFDD-UHFFFAOYSA-N
XLogP2.82
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
1-(2-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 63717028
2-[ethyl(ethylsulfonyl)amino]-5-fluorobenzoic acid
CID 165485905
N-butan-2-yl-2-chloro-5-fluorobenzamide
CID 129166839
2-[(2-chloro-4-fluorophenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60827819
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
CID 62911155
1-(2-chloro-4-fluorophenyl)-4-(ethylamino)pentan-2-one
CID 116566762
1-(2-chloro-4-fluorophenyl)-4-methylpentan-3-one
CID 43175852
(2S)-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]-N-methylpropanamide
CID 51946888
ethyl 4-(2-chloro-4-fluorophenyl)-3-oxo-2-propan-2-ylbutanoate
CID 63037743
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
3-[2,4-difluoro-N-(2-methylpropanoyl)anilino]-2-methylpropanoic acid
CID 82321057

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide (CID 173273757) is N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide is CCS(=O)(=O)N(C(=O)C(C)C)c1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide?
The InChIKey is MYZJMXZKAHCFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO3S/c1-4-19(17,18)15(12(16)8(2)3)11-6-5-9(14)7-10(11)13/h5-8H,4H2,1-3H3.
What are the key properties of N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide?
N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide has a molecular weight of 307.77 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-N-ethylsulfonyl-2-methylpropanamide is sourced from PubChem (CID 173273757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).