7-(trifluoromethyl)naphthalene-2-sulfonyl chloride

C11H6ClF3O2S — CID 170898735

IUPAC7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2ccc(C(F)(F)F)cc2c1
InChIInChI=1S/C11H6ClF3O2S/c12-18(16,17)10-4-2-7-1-3-9(11(13,14)15)5-8(7)6-10/h1-6H
InChIKeyDJLOKQSNSUBWKM-UHFFFAOYSA-N
MW294.68 g/mol
LogP3.79
Rot. Bonds1

About 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride

7-(trifluoromethyl)naphthalene-2-sulfonyl chloride (PubChem CID 170898735) has the molecular formula C11H6ClF3O2S and a molecular weight of 294.68 g/mol. Its IUPAC name is 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
PubChem CID170898735
Molecular FormulaC11H6ClF3O2S
Molecular Weight294.68 g/mol
Exact Mass293.97
IUPAC Name7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2ccc(C(F)(F)F)cc2c1
InChIInChI=1S/C11H6ClF3O2S/c12-18(16,17)10-4-2-7-1-3-9(11(13,14)15)5-8(7)6-10/h1-6H
InChIKeyDJLOKQSNSUBWKM-UHFFFAOYSA-N
XLogP3.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.68
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methylnaphthalene-2-sulfonyl chloride
CID 10824001
naphthalene-2,3,6-trisulfonyl chloride
CID 87775954
3,10-bis(trifluoromethyl)picene
CID 88902241
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
3-bromo-5-(trifluoromethyl)benzenesulfonyl chloride
CID 2778610
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
isoquinoline-7-sulfonyl chloride
CID 22994526
4-[3,5-bis(trifluoromethyl)phenyl]benzenesulfonyl chloride;4-(3,5-dichlorophenyl)benzenesulfonyl chloride
CID 162262114
2,11-bis(trifluoromethyl)picene
CID 88902337
4-(1,1-difluoropropyl)benzenesulfonyl chloride
CID 87189843
5-[2-chloro-4-(trifluoromethyl)phenyl]naphthalene-2-sulfonate
CID 152781705
2-methoxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]quinazoline-7-sulfonyl chloride
CID 86687744

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride?
The IUPAC name of 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride (CID 170898735) is 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride.
What is the SMILES notation for 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride?
The canonical SMILES for 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc2ccc(C(F)(F)F)cc2c1.
What is the InChIKey of 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride?
The InChIKey is DJLOKQSNSUBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3O2S/c12-18(16,17)10-4-2-7-1-3-9(11(13,14)15)5-8(7)6-10/h1-6H.
What are the key properties of 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride?
7-(trifluoromethyl)naphthalene-2-sulfonyl chloride has a molecular weight of 294.68 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)naphthalene-2-sulfonyl chloride is sourced from PubChem (CID 170898735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).