5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide

C20H19F3N2O2S — CID 74227857

IUPAC5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCc3ccccc3C(F)(F)F)cccc12
InChIInChI=1S/C20H19F3N2O2S/c1-25(2)18-11-5-9-16-15(18)8-6-12-19(16)28(26,27)24-13-14-7-3-4-10-17(14)20(21,22)23/h3-12,24H,13H2,1-2H3
InChIKeyPEDROZCGOIBHRV-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.40
Rot. Bonds5

About 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide (PubChem CID 74227857) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
PubChem CID74227857
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)NCc3ccccc3C(F)(F)F)cccc12
InChIInChI=1S/C20H19F3N2O2S/c1-25(2)18-11-5-9-16-15(18)8-6-12-19(16)28(26,27)24-13-14-7-3-4-10-17(14)20(21,22)23/h3-12,24H,13H2,1-2H3
InChIKeyPEDROZCGOIBHRV-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 3874820
5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3348052
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3855876
5-(dimethylamino)-N-[6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexyl]naphthalene-1-sulfonamide
CID 14008934
5-(dimethylamino)-N-(2-hydroxyethyl)naphthalene-1-sulfonamide
CID 12910720
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]ethylamino] 2,2,2-trifluoroacetate
CID 137395408
N-(4-aminobutyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 14656966
[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]methylphosphonic acid
CID 10641161
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide (CID 74227857) is 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)NCc3ccccc3C(F)(F)F)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
The InChIKey is PEDROZCGOIBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c1-25(2)18-11-5-9-16-15(18)8-6-12-19(16)28(26,27)24-13-14-7-3-4-10-17(14)20(21,22)23/h3-12,24H,13H2,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide has a molecular weight of 408.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 74227857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).