6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide

C14H12F3NO4S2 — CID 139422293

IUPAC6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
SMILESC=C(C)c1ccc2cc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H12F3NO4S2/c1-9(2)10-3-4-12-8-13(6-5-11(12)7-10)23(19,20)18-24(21,22)14(15,16)17/h3-8,18H,1H2,2H3
InChIKeyJFOCWBQGKXKVME-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.00
Rot. Bonds4

About 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide

6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide (PubChem CID 139422293) has the molecular formula C14H12F3NO4S2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
PubChem CID139422293
Molecular FormulaC14H12F3NO4S2
Molecular Weight379.38 g/mol
Exact Mass379.02
IUPAC Name6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide
SMILESC=C(C)c1ccc2cc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)ccc2c1
InChIInChI=1S/C14H12F3NO4S2/c1-9(2)10-3-4-12-8-13(6-5-11(12)7-10)23(19,20)18-24(21,22)14(15,16)17/h3-8,18H,1H2,2H3
InChIKeyJFOCWBQGKXKVME-UHFFFAOYSA-N
XLogP3.00
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-methoxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 144895796
4-(1,2,2-trifluoroethenyl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 89334005
ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide
CID 144868004
4-(trifluoromethylsulfonylsulfamoyl)benzenediazonium
CID 102111013
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
4-(2,5-dimethylhexan-3-yl)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 156529293
1,1,2,2,3,3-hexafluoro-N-[2-(4-prop-1-en-2-ylphenoxy)ethylsulfonyl]-N'-(trifluoromethylsulfonyl)propane-1,3-disulfonamide
CID 167101974
CID 88815363
CID 88815363
3-(oxiran-2-ylmethoxy)-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 164777418
sodium 4-prop-1-en-2-ylbenzenesulfonate
CID 23696519
2,7-bis(prop-1-en-2-yl)pyrene
CID 162639886
N-(2,2,2-trifluoroethoxy)naphthalene-2-sulfonamide
CID 82715252

Frequently Asked Questions

What is the IUPAC name of 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide?
The IUPAC name of 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide (CID 139422293) is 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide.
What is the SMILES notation for 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide?
The canonical SMILES for 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide is C=C(C)c1ccc2cc(S(=O)(=O)NS(=O)(=O)C(F)(F)F)ccc2c1.
What is the InChIKey of 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide?
The InChIKey is JFOCWBQGKXKVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S2/c1-9(2)10-3-4-12-8-13(6-5-11(12)7-10)23(19,20)18-24(21,22)14(15,16)17/h3-8,18H,1H2,2H3.
What are the key properties of 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide?
6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide has a molecular weight of 379.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-1-en-2-yl-N-(trifluoromethylsulfonyl)naphthalene-2-sulfonamide is sourced from PubChem (CID 139422293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).