(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide

C13H17ClFNO3S — CID 58245609

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide
SMILESCC(C)(F)C[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C13H17ClFNO3S/c1-13(2,15)7-9(12(16)17)8-20(18,19)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,16,17)/t9-/m0/s1
InChIKeySYUBURIXVJRLJR-VIFPVBQESA-N
MW321.80 g/mol
LogP2.35
Rot. Bonds6

About (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide

(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide (PubChem CID 58245609) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide
PubChem CID58245609
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide
SMILESCC(C)(F)C[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C13H17ClFNO3S/c1-13(2,15)7-9(12(16)17)8-20(18,19)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,16,17)/t9-/m0/s1
InChIKeySYUBURIXVJRLJR-VIFPVBQESA-N
XLogP2.35
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propanamide, 3-[(4-chlorophenyl)sulfonyl]-
CID 541881
7-(4-Chlorophenylsulfinyl)heptanoic acid hydroxamide
CID 10063584
6-(4-Chlorophenylsulfinyl)hexanoic acid hydroxamide
CID 10266202
2-[(4-Chlorophenyl)sulfonyl]acetamide
CID 773998
3-[(4-Chlorophenyl)sulfonylmethyl]piperidine-2,6-dione
CID 159430074
N-(4-chlorophenyl)sulfonyl-2-(2,2-difluorocyclopropyl)acetamide
CID 54189202
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluorobutanamide
CID 58245605
2-[(4-Chlorophenyl)sulfonylmethyl]-6-fluorohexanamide
CID 58245612
2-(4-Chloro-2-fluorophenyl)sulfinyl-2-methylpropanamide
CID 70666029
(2R)-2-(4-chlorophenyl)sulfonyl-4-fluorobutanamide
CID 140018742
2-(3-Chloro-4-fluorophenyl)sulfonylpropanamide
CID 45826008
N-(4-chloro-2-fluorophenyl)sulfonylpentanamide
CID 47079538

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide (CID 58245609) is (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide is CC(C)(F)C[C@@H](CS(=O)(=O)c1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide?
The InChIKey is SYUBURIXVJRLJR-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c1-13(2,15)7-9(12(16)17)8-20(18,19)11-5-3-10(14)4-6-11/h3-6,9H,7-8H2,1-2H3,(H2,16,17)/t9-/m0/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide?
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide has a molecular weight of 321.80 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide is sourced from PubChem (CID 58245609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).