5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide

C12H18FNO2S — CID 59389599

IUPAC5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H18FNO2S/c1-9(2)7-10-5-6-11(13)8-12(10)17(15,16)14(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyWSQNODGRDNWXNW-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.27
Rot. Bonds4

About 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide

5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide (PubChem CID 59389599) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
PubChem CID59389599
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C12H18FNO2S/c1-9(2)7-10-5-6-11(13)8-12(10)17(15,16)14(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyWSQNODGRDNWXNW-UHFFFAOYSA-N
XLogP2.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyanomethyl)-5-fluoro-N,N-dimethylbenzenesulfonamide
CID 58126992
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
2-(chloromethyl)-5-fluoro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 102920040
2-(chloromethyl)-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920066
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
5-fluoro-2-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 102920651
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
2-(chloromethyl)-N-ethyl-5-fluoro-N-methylbenzenesulfonamide
CID 102920020
5-fluoro-2-(2-methylpropyl)aniline
CID 105433538
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
1-(bromomethyl)-4-fluoro-2-methylsulfonylbenzene
CID 58836824

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide (CID 59389599) is 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide?
The InChIKey is WSQNODGRDNWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9(2)7-10-5-6-11(13)8-12(10)17(15,16)14(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide?
5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 59389599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).