N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide

C12H17FN2O2S — CID 167982152

IUPACN-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1(CN)CCC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2S/c1-15(12(9-14)7-4-8-12)18(16,17)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-9,14H2,1H3
InChIKeyKQWFOGJJDCKMDP-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.33
Rot. Bonds4

About N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide

N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 167982152) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
PubChem CID167982152
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1(CN)CCC1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H17FN2O2S/c1-15(12(9-14)7-4-8-12)18(16,17)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-9,14H2,1H3
InChIKeyKQWFOGJJDCKMDP-UHFFFAOYSA-N
XLogP1.33
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(Diethylamino)ethyl]-2-Fluoranyl-Benzenesulfonamide
CID 2161439
Diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
4-fluoro-N-(3-methylbutyl)benzene-1-sulfonamide
CID 669765
3-fluoro-N-(piperidin-3-yl)benzene-1-sulfonamide
CID 20117109
N-[(1-ethylpyrrolidin-2-yl)methyl]-2,4-difluorobenzenesulfonamide
CID 3869359
N-[2-(diethylamino)ethyl]-3,4-difluorobenzenesulfonamide
CID 8716571
4-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887520
N-[2-(diethylamino)ethyl]-4-fluorobenzenesulfonamide
CID 43386603
N-(1-amino-2-methylpropan-2-yl)-2,6-difluorobenzenesulfonamide
CID 63194227
N-(1-amino-2-methylpropan-2-yl)-2,3-difluorobenzenesulfonamide
CID 84591341
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-fluorobenzenesulfonamide
CID 91922808
N-[3-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 2251298

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide (CID 167982152) is N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide is CN(C1(CN)CCC1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is KQWFOGJJDCKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(12(9-14)7-4-8-12)18(16,17)11-6-3-2-5-10(11)13/h2-3,5-6H,4,7-9,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide?
N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 272.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 167982152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).