N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide

C19H17NO4S — CID 3750088

IUPACN-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
SMILESCCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4S/c1-2-20(16-8-10-18-19(12-16)24-13-23-18)25(21,22)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3
InChIKeyIRQHEZDPMBPLEM-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.78
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide

N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide (PubChem CID 3750088) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
PubChem CID3750088
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
SMILESCCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4S/c1-2-20(16-8-10-18-19(12-16)24-13-23-18)25(21,22)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3
InChIKeyIRQHEZDPMBPLEM-UHFFFAOYSA-N
XLogP3.78
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
CID 3670395
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 100517507
N-(1,3-benzodioxol-5-yl)-N-ethyl-2-fluorobenzenesulfonamide
CID 3434417
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100528191
N-ethyl-N-(2-methoxyphenyl)naphthalene-2-sulfonamide
CID 100532213
1,3-benzodioxol-5-yl(naphthalen-2-ylsulfonyl)azanide
CID 4744093
N-(1,3-benzodioxol-5-yl)-3,5-dichloro-N-ethyl-2-hydroxybenzenesulfonamide
CID 3875916
N-(2,5-dimethylphenyl)-N-ethylnaphthalene-2-sulfonamide
CID 100530394
N-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-N-[4-(diethylamino)butyl]naphthalene-2-sulfonamide
CID 71068261
N-cyclopropyl-N-propan-2-yl-1,3-benzodioxole-5-sulfonamide
CID 110872894
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
CID 100550390
N-ethyl-2-oxo-N-phenylchromene-6-sulfonamide
CID 30713094

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide (CID 3750088) is N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide is CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide?
The InChIKey is IRQHEZDPMBPLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-2-20(16-8-10-18-19(12-16)24-13-23-18)25(21,22)17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide is sourced from PubChem (CID 3750088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).