5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide

C19H16F4N2O2S — CID 3348052

IUPAC5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3F)cccc12
InChIInChI=1S/C19H16F4N2O2S/c1-25(2)16-10-3-7-13-12(16)6-4-11-17(13)28(26,27)24-15-9-5-8-14(18(15)20)19(21,22)23/h3-11,24H,1-2H3
InChIKeyPFIUVEWHOQVIRX-UHFFFAOYSA-N
MW412.41 g/mol
LogP4.86
Rot. Bonds4

About 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide

5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide (PubChem CID 3348052) has the molecular formula C19H16F4N2O2S and a molecular weight of 412.41 g/mol. Its IUPAC name is 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide.

Molecular Properties

Compound Name5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
PubChem CID3348052
Molecular FormulaC19H16F4N2O2S
Molecular Weight412.41 g/mol
Exact Mass412.09
IUPAC Name5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
SMILESCN(C)c1cccc2c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3F)cccc12
InChIInChI=1S/C19H16F4N2O2S/c1-25(2)16-10-3-7-13-12(16)6-4-11-17(13)28(26,27)24-15-9-5-8-14(18(15)20)19(21,22)23/h3-11,24H,1-2H3
InChIKeyPFIUVEWHOQVIRX-UHFFFAOYSA-N
XLogP4.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(dimethylamino)-N-(2-hydroxyphenyl)naphthalene-1-sulfonamide
CID 25048383
5-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]naphthalene-1-sulfonyl chloride
CID 71401329
5-(dimethylamino)-N-[[2-(trifluoromethyl)phenyl]methyl]naphthalene-1-sulfonamide
CID 74227857
N-[2-fluoro-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 5013435
5-(dimethylamino)-N-(2-hydroxy-4-methylphenyl)naphthalene-1-sulfonamide
CID 122149480
4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzoic acid
CID 15839021
5-(dimethylamino)-N-(2-hydroxy-3,5-dimethylphenyl)naphthalene-1-sulfonamide
CID 5187282
N-(4-bromo-3-fluorophenyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 4658708
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3-methylbenzenesulfonamide
CID 3811845
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
5-(dimethylamino)-N-(3-iodoprop-2-ynyl)naphthalene-1-sulfonamide
CID 170856983
2-[3-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propyl]benzoic acid
CID 68691274

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The IUPAC name of 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide (CID 3348052) is 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide.
What is the SMILES notation for 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The canonical SMILES for 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide is CN(C)c1cccc2c(S(=O)(=O)Nc3cccc(C(F)(F)F)c3F)cccc12.
What is the InChIKey of 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
The InChIKey is PFIUVEWHOQVIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O2S/c1-25(2)16-10-3-7-13-12(16)6-4-11-17(13)28(26,27)24-15-9-5-8-14(18(15)20)19(21,22)23/h3-11,24H,1-2H3.
What are the key properties of 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide?
5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide has a molecular weight of 412.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-N-[2-fluoro-3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide is sourced from PubChem (CID 3348052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).