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

Naphthalene-2-sulfonamide
CID 232997
4'-(Trifluoromethyl)biphenyl-4-sulfonamide
CID 23625979
4-[4,5-Difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 10666170
2-Anthracenesulfonyl chloride
CID 284320
4-Naphthalen-2-ylbenzenesulfonamide
CID 127041490
n-Methylnaphthalene-2-sulfonamide
CID 233072
4-[2-(3,4-Dimethylphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 10547351
4-[4,5-Difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 10571627
4-[3,4-Difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 44394041
4-[2-(3,4-Dimethylphenyl)-3,4-difluorophenyl]benzenesulfonamide
CID 44394151
4-[3,4-Difluoro-2-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 44394196
4-Methylnaphthalene-1-sulfonamide
CID 15695368

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).