N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide

C7H14ClF2NO2S — CID 107849152

IUPACN-(6-chlorohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCCCCCl)C(F)F
InChIInChI=1S/C7H14ClF2NO2S/c8-5-3-1-2-4-6-11-14(12,13)7(9)10/h7,11H,1-6H2
InChIKeyJGMVSECOGULJHX-UHFFFAOYSA-N
MW249.71 g/mol
LogP1.93
Rot. Bonds8

About N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide

N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 107849152) has the molecular formula C7H14ClF2NO2S and a molecular weight of 249.71 g/mol. Its IUPAC name is N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(6-chlorohexyl)-1,1-difluoromethanesulfonamide
PubChem CID107849152
Molecular FormulaC7H14ClF2NO2S
Molecular Weight249.71 g/mol
Exact Mass249.04
IUPAC NameN-(6-chlorohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCCCCCCCl)C(F)F
InChIInChI=1S/C7H14ClF2NO2S/c8-5-3-1-2-4-6-11-14(12,13)7(9)10/h7,11H,1-6H2
InChIKeyJGMVSECOGULJHX-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 43133790
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CID 65032173
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CID 65032340
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CID 65033185
CID 65033185
CID 66005249
CID 66005249
CID 80291099
CID 80291099
CID 80313234
CID 80313234
CID 104111257
CID 104111257
CID 104284290
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CID 106135494
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CID 106135566
CID 106135566

Frequently Asked Questions

What is the IUPAC name of N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide (CID 107849152) is N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCCCCCCCl)C(F)F.
What is the InChIKey of N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is JGMVSECOGULJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClF2NO2S/c8-5-3-1-2-4-6-11-14(12,13)7(9)10/h7,11H,1-6H2.
What are the key properties of N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide?
N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 249.71 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chlorohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 107849152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).