N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide

C15H23FN2O2S — CID 81428132

IUPACN-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CC2CCC2)cc(C)c1F
InChIInChI=1S/C15H23FN2O2S/c1-11-7-14(8-13(9-17-2)15(11)16)21(19,20)18(3)10-12-5-4-6-12/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyHEGADULXLWPQDD-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.27
Rot. Bonds6

About N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide

N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 81428132) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID81428132
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)N(C)CC2CCC2)cc(C)c1F
InChIInChI=1S/C15H23FN2O2S/c1-11-7-14(8-13(9-17-2)15(11)16)21(19,20)18(3)10-12-5-4-6-12/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyHEGADULXLWPQDD-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-N-(cyclopentylmethyl)-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 81427428
N-(cyclopropylmethyl)-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81434987
4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 81435959
N-(cyclobutylmethyl)-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920747
N-(cyclobutylmethyl)-2,3-difluoro-N-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 105121755
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 106071747
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81434734
2-bromo-N-(cyclobutylmethyl)-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114365049
1-[5-(azepan-1-ylsulfonyl)-2-fluoro-3-methylphenyl]-N-methylmethanamine
CID 81427594
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 81435842
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81428139

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide (CID 81428132) is N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)N(C)CC2CCC2)cc(C)c1F.
What is the InChIKey of N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is HEGADULXLWPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-7-14(8-13(9-17-2)15(11)16)21(19,20)18(3)10-12-5-4-6-12/h7-8,12,17H,4-6,9-10H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide?
N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 81428132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).