N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H23FN2O2S — CID 107327558

IUPACN-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-8-13(16)9-12(2)14(11)21(19,20)17-10-15(18(3)4)6-5-7-15/h8-9,17H,5-7,10H2,1-4H3
InChIKeyNRYXGWKQJFVLOV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.21
Rot. Bonds5

About N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107327558) has the molecular formula C15H23FN2O2S and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107327558
Molecular FormulaC15H23FN2O2S
Molecular Weight314.43 g/mol
Exact Mass314.15
IUPAC NameN-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)NCC1(N(C)C)CCC1
InChIInChI=1S/C15H23FN2O2S/c1-11-8-13(16)9-12(2)14(11)21(19,20)17-10-15(18(3)4)6-5-7-15/h8-9,17H,5-7,10H2,1-4H3
InChIKeyNRYXGWKQJFVLOV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide with MolForge

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Related Compounds

N-[(1-aminocyclobutyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328370
4-fluoro-N-[(1-hydroxycyclohexyl)methyl]-2,6-dimethylbenzenesulfonamide
CID 107327238
6-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-2,3-dimethylbenzenesulfonamide
CID 105413590
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329415
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106087081
5-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-2-methylbenzenesulfonamide
CID 105413622
3-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-4,5-dimethylbenzenesulfonamide
CID 105413651
N-[(2,2-dimethylcyclopropyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 114107748
3-chloro-N-[[1-(dimethylamino)cyclopropyl]methyl]-5-fluorobenzenesulfonamide
CID 126829873
4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-2,6-dimethylbenzenesulfonamide
CID 106100372
2-amino-4,6-dichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]benzenesulfonamide
CID 105413574
N-[2-(dimethylsulfamoyl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106336296

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107327558) is N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)NCC1(N(C)C)CCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is NRYXGWKQJFVLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2S/c1-11-8-13(16)9-12(2)14(11)21(19,20)17-10-15(18(3)4)6-5-7-15/h8-9,17H,5-7,10H2,1-4H3.
What are the key properties of N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 314.43 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclobutyl]methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).