2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride

C10H6ClF3O3S — CID 141023258

IUPAC2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)C=CC(C(F)(F)F)O2
InChIInChI=1S/C10H6ClF3O3S/c11-18(15,16)7-2-3-8-6(5-7)1-4-9(17-8)10(12,13)14/h1-5,9H
InChIKeySKRZDYPVCUHQPL-UHFFFAOYSA-N
MW298.67 g/mol
LogP2.95
Rot. Bonds1

About 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride

2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride (PubChem CID 141023258) has the molecular formula C10H6ClF3O3S and a molecular weight of 298.67 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride
PubChem CID141023258
Molecular FormulaC10H6ClF3O3S
Molecular Weight298.67 g/mol
Exact Mass297.97
IUPAC Name2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)C=CC(C(F)(F)F)O2
InChIInChI=1S/C10H6ClF3O3S/c11-18(15,16)7-2-3-8-6(5-7)1-4-9(17-8)10(12,13)14/h1-5,9H
InChIKeySKRZDYPVCUHQPL-UHFFFAOYSA-N
XLogP2.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.67
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(trifluoromethyl)-2H-chromene-6-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

4-[(2,3,4,5,6-Pentafluorophenyl)methoxy]benzenesulfonamide
CID 118729473
Benzenesulfonyl chloride, 4-((4,4,5,5,5-pentafluoro-3-(1,1,2,2,2-pentafluoroethyl)-1,2,3-tris(trifluoromethyl)-1-penten-1-yl)oxy)-
CID 103564
Coumarin-6-sulfonyl chloride
CID 2735833
4-[(4-Fluorophenyl)methoxy]benzenesulfonamide
CID 43342474
4-Trifluoromethylthiobenzyl 4-trifluoromethylsulfonylphenyl ether
CID 18185327
2,3-Dihydrobenzofuran-5-sulfonyl Chloride
CID 2776154
4-(2-Methylphenoxy)benzene-1-sulfonyl chloride
CID 2794712
4-(Benzyloxy)benzene-1-sulfonyl chloride
CID 4738385
2,3-Dihydro-1-benzofuran-5-sulfonamide
CID 10899619
2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 15611038
3-(Benzyloxy)benzene-1-sulfonyl chloride
CID 15729649
4-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 15915317

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride (CID 141023258) is 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)C=CC(C(F)(F)F)O2.
What is the InChIKey of 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride?
The InChIKey is SKRZDYPVCUHQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3O3S/c11-18(15,16)7-2-3-8-6(5-7)1-4-9(17-8)10(12,13)14/h1-5,9H.
What are the key properties of 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride?
2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride has a molecular weight of 298.67 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2H-chromene-6-sulfonyl chloride is sourced from PubChem (CID 141023258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).