2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide

C10H13NO4S — CID 112551846

IUPAC2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(N)(=O)=O)OC(C)(C)O2
InChIInChI=1S/C10H13NO4S/c1-6-4-7-8(15-10(2,3)14-7)5-9(6)16(11,12)13/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyAMWXADNDRWOLQS-UHFFFAOYSA-N
MW243.28 g/mol
LogP1.15
Rot. Bonds1

About 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide

2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide (PubChem CID 112551846) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound Name2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide
PubChem CID112551846
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide
SMILESCc1cc2c(cc1S(N)(=O)=O)OC(C)(C)O2
InChIInChI=1S/C10H13NO4S/c1-6-4-7-8(15-10(2,3)14-7)5-9(6)16(11,12)13/h4-5H,1-3H3,(H2,11,12,13)
InChIKeyAMWXADNDRWOLQS-UHFFFAOYSA-N
XLogP1.15
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethylbenzenesulfonamide
CID 961422
5-fluoro-2,2,6-trimethyl-1,3-benzodioxole
CID 22955941
2,4-dimethyl-5-sulfanylbenzenesulfonamide
CID 67169814
4-ethyl-2,5-dimethylbenzenesulfonamide
CID 58979780
4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35299033
2-methyl-4-(methylamino)benzenesulfonamide
CID 71282580
4-bromo-5-methoxy-2-methylbenzenesulfonamide
CID 154254262
4-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 117342928
(E)-3-(2,2,6-trimethyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 117312664
2-methyl-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]benzenesulfonamide
CID 79908582
2-bromo-5-iodo-4-methylbenzenesulfonamide
CID 171033366
6-amino-1,3-benzodioxole-5-sulfonamide
CID 130018278

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide (CID 112551846) is 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide is Cc1cc2c(cc1S(N)(=O)=O)OC(C)(C)O2.
What is the InChIKey of 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide?
The InChIKey is AMWXADNDRWOLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-6-4-7-8(15-10(2,3)14-7)5-9(6)16(11,12)13/h4-5H,1-3H3,(H2,11,12,13).
What are the key properties of 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide?
2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide has a molecular weight of 243.28 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 112551846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).