2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide

C14H20BrF2NO2S — CID 106025725

IUPAC2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C14H20BrF2NO2S/c1-3-5-7-11(6-4-2)18-21(19,20)14-12(15)8-10(16)9-13(14)17/h8-9,11,18H,3-7H2,1-2H3
InChIKeyNLCLKSNZHKBGMB-UHFFFAOYSA-N
MW384.29 g/mol
LogP4.36
Rot. Bonds8

About 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide

2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide (PubChem CID 106025725) has the molecular formula C14H20BrF2NO2S and a molecular weight of 384.29 g/mol. Its IUPAC name is 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide
PubChem CID106025725
Molecular FormulaC14H20BrF2NO2S
Molecular Weight384.29 g/mol
Exact Mass383.04
IUPAC Name2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C14H20BrF2NO2S/c1-3-5-7-11(6-4-2)18-21(19,20)14-12(15)8-10(16)9-13(14)17/h8-9,11,18H,3-7H2,1-2H3
InChIKeyNLCLKSNZHKBGMB-UHFFFAOYSA-N
XLogP4.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.29
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
2-bromo-4,6-difluoro-N-undecan-6-ylaniline
CID 63423408
2-bromo-4,6-difluoro-N-(4-hydroxypentyl)benzenesulfonamide
CID 106125988
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 61141689
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
2-bromo-4,6-difluoro-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 43606874
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
2-bromo-4,6-difluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106282347

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide (CID 106025725) is 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide is CCCCC(CCC)NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide?
The InChIKey is NLCLKSNZHKBGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF2NO2S/c1-3-5-7-11(6-4-2)18-21(19,20)14-12(15)8-10(16)9-13(14)17/h8-9,11,18H,3-7H2,1-2H3.
What are the key properties of 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide?
2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide has a molecular weight of 384.29 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,6-difluoro-N-octan-4-ylbenzenesulfonamide is sourced from PubChem (CID 106025725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).