4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide

C15H22F3N3O2S — CID 154735971

IUPAC4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(CC1(N(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C15H22F3N3O2S/c1-20(2)14(7-4-8-14)10-21(3)13-6-5-11(24(19,22)23)9-12(13)15(16,17)18/h5-6,9H,4,7-8,10H2,1-3H3,(H2,19,22,23)
InChIKeyFTQNFYRPMGUTQE-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.27
Rot. Bonds5

About 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide

4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 154735971) has the molecular formula C15H22F3N3O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID154735971
Molecular FormulaC15H22F3N3O2S
Molecular Weight365.42 g/mol
Exact Mass365.14
IUPAC Name4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(CC1(N(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1C(F)(F)F
InChIInChI=1S/C15H22F3N3O2S/c1-20(2)14(7-4-8-14)10-21(3)13-6-5-11(24(19,22)23)9-12(13)15(16,17)18/h5-6,9H,4,7-8,10H2,1-3H3,(H2,19,22,23)
InChIKeyFTQNFYRPMGUTQE-UHFFFAOYSA-N
XLogP2.27
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide (CID 154735971) is 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide is CN(CC1(N(C)C)CCC1)c1ccc(S(N)(=O)=O)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is FTQNFYRPMGUTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2S/c1-20(2)14(7-4-8-14)10-21(3)13-6-5-11(24(19,22)23)9-12(13)15(16,17)18/h5-6,9H,4,7-8,10H2,1-3H3,(H2,19,22,23).
What are the key properties of 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide?
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 365.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 154735971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).