2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide

C13H17ClFNO3S — CID 58245612

IUPAC2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide
SMILESNC(=O)C(CCCCF)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClFNO3S/c14-11-4-6-12(7-5-11)20(18,19)9-10(13(16)17)3-1-2-8-15/h4-7,10H,1-3,8-9H2,(H2,16,17)
InChIKeyHELNQZRUTGWYHC-UHFFFAOYSA-N
MW321.80 g/mol
LogP2.36
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide

2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide (PubChem CID 58245612) has the molecular formula C13H17ClFNO3S and a molecular weight of 321.80 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide
PubChem CID58245612
Molecular FormulaC13H17ClFNO3S
Molecular Weight321.80 g/mol
Exact Mass321.06
IUPAC Name2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide
SMILESNC(=O)C(CCCCF)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClFNO3S/c14-11-4-6-12(7-5-11)20(18,19)9-10(13(16)17)3-1-2-8-15/h4-7,10H,1-3,8-9H2,(H2,16,17)
InChIKeyHELNQZRUTGWYHC-UHFFFAOYSA-N
XLogP2.36
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Propanamide, 3-[(4-chlorophenyl)sulfonyl]-
CID 541881
6-(4-Chlorophenylsulfanyl)hexanoic acid hydroxamide
CID 9993471
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
(2R)-2-[(4-chlorophenyl)sulfonylmethyl]-4-fluoro-4-methylpentanamide
CID 58245609
(2R)-2-(4-chlorophenyl)sulfonyl-4-fluorobutanamide
CID 140018742
N-(4-chloro-2-fluorophenyl)sulfonyl-4-methylpentanamide
CID 47422429
4-[Amino-(4-chlorophenyl)sulfonylmethyl]cyclohexan-1-one
CID 20073529

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide (CID 58245612) is 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide is NC(=O)C(CCCCF)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide?
The InChIKey is HELNQZRUTGWYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO3S/c14-11-4-6-12(7-5-11)20(18,19)9-10(13(16)17)3-1-2-8-15/h4-7,10H,1-3,8-9H2,(H2,16,17).
What are the key properties of 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide?
2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide has a molecular weight of 321.80 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylmethyl]-6-fluorohexanamide is sourced from PubChem (CID 58245612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).