N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide

C16H26FNO2S — CID 107326899

IUPACN-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H26FNO2S/c1-6-8-9-18(14(5)7-2)21(19,20)16-12(3)10-15(17)11-13(16)4/h10-11,14H,6-9H2,1-5H3
InChIKeyQVEWWNBZWIMFBP-UHFFFAOYSA-N
MW315.45 g/mol
LogP4.03
Rot. Bonds7

About N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide

N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107326899) has the molecular formula C16H26FNO2S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107326899
Molecular FormulaC16H26FNO2S
Molecular Weight315.45 g/mol
Exact Mass315.17
IUPAC NameN-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCCCN(C(C)CC)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C16H26FNO2S/c1-6-8-9-18(14(5)7-2)21(19,20)16-12(3)10-15(17)11-13(16)4/h10-11,14H,6-9H2,1-5H3
InChIKeyQVEWWNBZWIMFBP-UHFFFAOYSA-N
XLogP4.03
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-N-butyl-3-fluorobenzenesulfonamide
CID 113220115
3-amino-N-butan-2-yl-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325603
4-[butan-2-yl(butyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63328820
N-(3-chloropropyl)-2,4,6-trimethyl-N-propan-2-ylbenzenesulfonamide
CID 10381159
4-(bromomethyl)-N-butan-2-yl-N-butylbenzenesulfonamide
CID 65480214
N-(1-cyclopropylethyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326745
3-acetyl-N-butan-2-yl-N-butylbenzenesulfonamide
CID 60707719
N-(5-chloropentyl)-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107329442
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
4-amino-N-butan-2-yl-N-butyl-2-methoxybenzenesulfonamide
CID 61111653
5-bromo-N-butan-2-yl-N-butyl-2-chloropyridine-3-sulfonamide
CID 61060925

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107326899) is N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide is CCCCN(C(C)CC)S(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is QVEWWNBZWIMFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO2S/c1-6-8-9-18(14(5)7-2)21(19,20)16-12(3)10-15(17)11-13(16)4/h10-11,14H,6-9H2,1-5H3.
What are the key properties of N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 315.45 g/mol, XLogP of 4.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107326899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).