5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride

C10H7Cl2F3O3S — CID 174946790

IUPAC5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c2c1OCCC2C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O3S/c11-6-1-2-7(19(12,16)17)9-8(6)5(3-4-18-9)10(13,14)15/h1-2,5H,3-4H2
InChIKeyQPXVMGWCEQBGJW-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.70
Rot. Bonds1

About 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride

5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride (PubChem CID 174946790) has the molecular formula C10H7Cl2F3O3S and a molecular weight of 335.13 g/mol. Its IUPAC name is 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride
PubChem CID174946790
Molecular FormulaC10H7Cl2F3O3S
Molecular Weight335.13 g/mol
Exact Mass333.94
IUPAC Name5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(Cl)c2c1OCCC2C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O3S/c11-6-1-2-7(19(12,16)17)9-8(6)5(3-4-18-9)10(13,14)15/h1-2,5H,3-4H2
InChIKeyQPXVMGWCEQBGJW-UHFFFAOYSA-N
XLogP3.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203079
(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) 2,2,2-trifluoroacetate
CID 132203483
[5-Chloro-8-chlorosulfonyl-4-(trifluoromethyl)-2,3-dihydrochromen-4-yl] acetate
CID 138520549
2-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 150080588
5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-thiol
CID 145411205
4-Chloro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 18782243
(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) acetate
CID 132203614
1-Chloro-2-methyl-4-methylsulfonyl-3-propoxybenzene
CID 140151469
[5-Chloro-8-chlorosulfonyl-4-(trideuteriomethyl)-2,3-dihydrochromen-4-yl] acetate
CID 142750550
5-Chloro-4-hydroxy-4-methyl-2,3-dihydrochromene-8-sulfonamide
CID 150825753
5-Chloro-4-methyl-8-sulfanyl-2,3-dihydrochromen-4-ol
CID 142600990

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
The IUPAC name of 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride (CID 174946790) is 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride is O=S(=O)(Cl)c1ccc(Cl)c2c1OCCC2C(F)(F)F.
What is the InChIKey of 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
The InChIKey is QPXVMGWCEQBGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O3S/c11-6-1-2-7(19(12,16)17)9-8(6)5(3-4-18-9)10(13,14)15/h1-2,5H,3-4H2.
What are the key properties of 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride?
5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride has a molecular weight of 335.13 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride is sourced from PubChem (CID 174946790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).