N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide

C13H18FNO3S — CID 102919837

IUPACN-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C13H18FNO3S/c1-15(8-10-3-2-4-10)19(17,18)13-7-12(14)6-5-11(13)9-16/h5-7,10,16H,2-4,8-9H2,1H3
InChIKeyWEFIXRIQCVVNKX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.74
Rot. Bonds5

About N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide

N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide (PubChem CID 102919837) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
PubChem CID102919837
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC NameN-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCC1)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C13H18FNO3S/c1-15(8-10-3-2-4-10)19(17,18)13-7-12(14)6-5-11(13)9-16/h5-7,10,16H,2-4,8-9H2,1H3
InChIKeyWEFIXRIQCVVNKX-UHFFFAOYSA-N
XLogP1.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
5-fluoro-2-(hydroxymethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]benzenesulfonamide
CID 102919903
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 102919764
2-bromo-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62854427
5-fluoro-2-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 102919775
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
2-(aminomethyl)-N-cyclobutyl-5-fluoro-N-methylbenzenesulfonamide
CID 102921048
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
N-[(4-bromothiophen-2-yl)methyl]-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919792
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide (CID 102919837) is N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide is CN(CC1CCC1)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
The InChIKey is WEFIXRIQCVVNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-15(8-10-3-2-4-10)19(17,18)13-7-12(14)6-5-11(13)9-16/h5-7,10,16H,2-4,8-9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide?
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide has a molecular weight of 287.36 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 102919837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).