2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide

C11H15NO3S — CID 71326365

IUPAC2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
SMILESCC1(C)CCc2cccc(S(N)(=O)=O)c2O1
InChIInChI=1S/C11H15NO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyISCVFOHJQQIIRE-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.44
Rot. Bonds1

About 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide

2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide (PubChem CID 71326365) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
PubChem CID71326365
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide
SMILESCC1(C)CCc2cccc(S(N)(=O)=O)c2O1
InChIInChI=1S/C11H15NO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3,(H2,12,13,14)
InChIKeyISCVFOHJQQIIRE-UHFFFAOYSA-N
XLogP1.44
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
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
4-Methyl-phenoxathiine 10,10-dioxide
CID 44307520
Benzenesulfonic acid, dodecyl(sulfophenoxy)-, ammonium salt (1:2)
CID 172053
2,2-Dimethyl-2,3-dihydro-1-benzofuran-7-sulfonamide
CID 13424180
2-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 22000404
3,4-Dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 24267858
3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
3,4-dihydro-2H-1-benzopyran-6-sulfonamide
CID 63840602
3,4-dihydro-2H-1-benzopyran-4-sulfonamide
CID 114999292
Disodium;3-methyl-2-(2-methyl-6-sulfonatophenoxy)benzenesulfonate
CID 53471251
2,2-Dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
CID 84710266

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
The IUPAC name of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide (CID 71326365) is 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
The canonical SMILES for 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide is CC1(C)CCc2cccc(S(N)(=O)=O)c2O1.
What is the InChIKey of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
The InChIKey is ISCVFOHJQQIIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(2)7-6-8-4-3-5-9(10(8)15-11)16(12,13)14/h3-5H,6-7H2,1-2H3,(H2,12,13,14).
What are the key properties of 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide?
2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3,4-dihydrochromene-8-sulfonamide is sourced from PubChem (CID 71326365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).