N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide

C15H15NO5S — CID 2219535

IUPACN-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO5S/c1-10-3-5-13(19-2)15(7-10)22(17,18)16-11-4-6-12-14(8-11)21-9-20-12/h3-8,16H,9H2,1-2H3
InChIKeyIEUZOQZAPGWPDV-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.53
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 2219535) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID2219535
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C15H15NO5S/c1-10-3-5-13(19-2)15(7-10)22(17,18)16-11-4-6-12-14(8-11)21-9-20-12/h3-8,16H,9H2,1-2H3
InChIKeyIEUZOQZAPGWPDV-UHFFFAOYSA-N
XLogP2.53
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-4-ethoxybenzenesulfonamide
CID 975650
N-(1,3-benzodioxol-5-yl)-3,4-difluorobenzenesulfonamide
CID 2384847
4-acetyl-N-(1,3-benzodioxol-5-yl)benzenesulfonamide
CID 2486492
N-(1,3-benzodioxol-5-yl)ethanesulfonamide
CID 1225729
N-1,3-benzodioxol-5-yl-5-fluoro-2-methoxybenzenesulfonamide
CID 1508539
N-(1,3-benzodioxol-5-yl)-4-methoxybenzenesulfonamide
CID 868942
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 2219508
(E)-3-[3-(Benzo[1,3]dioxol-5-ylsulfamoyl)-4-methoxy-phenyl]-acrylic acid
CID 1325325
N-1,3-benzodioxol-5-yl-3,4-dimethoxybenzenesulfonamide
CID 768991
2-methoxy-N-(3-methoxyphenyl)-5-methylbenzenesulfonamide
CID 934507
(E)-N-(1,3-benzodioxol-5-yl)-2-phenylethenesulfonamide
CID 949427
N-(3,4-dimethoxyphenyl)-2-methoxy-5-methylbenzenesulfonamide
CID 2240619

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide (CID 2219535) is N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is IEUZOQZAPGWPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-10-3-5-13(19-2)15(7-10)22(17,18)16-11-4-6-12-14(8-11)21-9-20-12/h3-8,16H,9H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 321.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 2219535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).