2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride

C11H13ClO3S — CID 84710266

IUPAC2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
SMILESCC1(C)CCc2cccc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C11H13ClO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3
InChIKeyWOYJTDZEJDPCGR-UHFFFAOYSA-N
MW260.74 g/mol
LogP2.72
Rot. Bonds1

About 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride

2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride (PubChem CID 84710266) has the molecular formula C11H13ClO3S and a molecular weight of 260.74 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
PubChem CID84710266
Molecular FormulaC11H13ClO3S
Molecular Weight260.74 g/mol
Exact Mass260.03
IUPAC Name2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
SMILESCC1(C)CCc2cccc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C11H13ClO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3
InChIKeyWOYJTDZEJDPCGR-UHFFFAOYSA-N
XLogP2.72
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-Fluoro-2-methyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943925
4-Ethyl-phenoxathiine 10,10-dioxide
CID 10730054
2-Ethyl-phenoxathiine 10,10-dioxide
CID 10848921
4-Methyl-phenoxathiine 10,10-dioxide
CID 44307520
Benzenesulfonic acid, dodecyl(sulfophenoxy)-, ammonium salt (1:2)
CID 172053
3-Dodecyl-2-(2-sulfophenoxy)benzenesulfonic acid
CID 172054
5-Ethyl-2-methoxybenzene-1-sulfonyl chloride
CID 2758862
4-(2-Methylphenoxy)benzene-1-sulfonyl chloride
CID 2794712
2-Methoxy-5-(propan-2-yl)benzene-1-sulfonyl chloride
CID 6488895
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 13424180
2,2-Dimethyl-2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 15611038
3-Ethyl-4-methoxybenzene-1-sulfonyl chloride
CID 15915323

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride?
The IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride (CID 84710266) is 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride is CC1(C)CCc2cccc(S(=O)(=O)Cl)c2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride?
The InChIKey is WOYJTDZEJDPCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride?
2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride has a molecular weight of 260.74 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrochromene-8-sulfonyl chloride is sourced from PubChem (CID 84710266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).