2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide

C14H21NO3S — CID 23221174

IUPAC2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide
SMILESCc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)CC2
InChIInChI=1S/C14H21NO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3,(H2,15,16,17)
InChIKeyXNMOEWPBTNQAQB-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.36
Rot. Bonds1

About 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide

2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide (PubChem CID 23221174) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

Compound Name2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide
PubChem CID23221174
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide
SMILESCc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)CC2
InChIInChI=1S/C14H21NO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3,(H2,15,16,17)
InChIKeyXNMOEWPBTNQAQB-UHFFFAOYSA-N
XLogP2.36
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,8-Trimethyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943874
2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride
CID 4172279
2,2,5,7,8-Pentamethyl-chromane-6-sulfonyl chloride
CID 4374440
N-(6-aminohexyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;dihydrochloride
CID 45259525
N-(5-aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;dihydrochloride
CID 45264064
N-(3-aminopropoxy)-N-(3-aminopropyl)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;dihydrochloride
CID 45263830
N-(4-aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;dihydrochloride
CID 45263967
N-(5-aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride
CID 397938
2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-sulfonamide
CID 11437140
2,2,5,7,8-Pentamethyl-3,4-dihydrochromene-6-sulfinate
CID 22184404
4-Methoxy-2,3,6-trimethylbenzenesulfonamide
CID 22614341
2,2,5,7,8-Pentamethyl-6-methylsulfonyl-3,4-dihydrochromene
CID 53780053

Frequently Asked Questions

What is the IUPAC name of 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide?
The IUPAC name of 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide (CID 23221174) is 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide.
What is the SMILES notation for 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide?
The canonical SMILES for 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide is Cc1c(C)c(S(N)(=O)=O)c(C)c2c1OC(C)(C)CC2.
What is the InChIKey of 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide?
The InChIKey is XNMOEWPBTNQAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-8-9(2)13(19(15,16)17)10(3)11-6-7-14(4,5)18-12(8)11/h6-7H2,1-5H3,(H2,15,16,17).
What are the key properties of 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide?
2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 23221174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).