2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide

C14H21F2NO3S — CID 3710669

IUPAC2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(CCCC(C)(C)O)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO3S/c1-10(6-5-9-14(2,3)18)17-21(19,20)13-11(15)7-4-8-12(13)16/h4,7-8,10,17-18H,5-6,9H2,1-3H3
InChIKeySKAMCIPFVYRAIB-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.57
Rot. Bonds7

About 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide

2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 3710669) has the molecular formula C14H21F2NO3S and a molecular weight of 321.39 g/mol. Its IUPAC name is 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
PubChem CID3710669
Molecular FormulaC14H21F2NO3S
Molecular Weight321.39 g/mol
Exact Mass321.12
IUPAC Name2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(CCCC(C)(C)O)NS(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C14H21F2NO3S/c1-10(6-5-9-14(2,3)18)17-21(19,20)13-11(15)7-4-8-12(13)16/h4,7-8,10,17-18H,5-6,9H2,1-3H3
InChIKeySKAMCIPFVYRAIB-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[(2R)-1-hydroxypropan-2-yl]benzenesulfonamide
CID 79027694
2,6-difluoro-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 3854345
2-amino-6-fluoro-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602215
2,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 107271298
methyl 2-[(2,6-difluorophenyl)sulfonylamino]-3-methylbutanoate
CID 25039001
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
(2R)-2-[(2,6-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 78975684
5-[(3-fluoro-2-pyridinyl)sulfonylamino]hexanoic acid
CID 103298911
5-[(3-fluorophenyl)sulfonylamino]hexanoic acid
CID 82855096
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126
N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide
CID 100675221
(2S)-2-[(2,6-difluorophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935044

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide (CID 3710669) is 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide is CC(CCCC(C)(C)O)NS(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is SKAMCIPFVYRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO3S/c1-10(6-5-9-14(2,3)18)17-21(19,20)13-11(15)7-4-8-12(13)16/h4,7-8,10,17-18H,5-6,9H2,1-3H3.
What are the key properties of 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide?
2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 321.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(6-hydroxy-6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 3710669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).