N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide

C16H17NO5S — CID 3670395

IUPACN-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17NO5S/c1-3-17(12-4-9-15-16(10-12)22-11-21-15)23(18,19)14-7-5-13(20-2)6-8-14/h4-10H,3,11H2,1-2H3
InChIKeyNQVUJUGMIHLXPC-UHFFFAOYSA-N
MW335.38 g/mol
LogP2.64
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide

N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 3670395) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID3670395
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H17NO5S/c1-3-17(12-4-9-15-16(10-12)22-11-21-15)23(18,19)14-7-5-13(20-2)6-8-14/h4-10H,3,11H2,1-2H3
InChIKeyNQVUJUGMIHLXPC-UHFFFAOYSA-N
XLogP2.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
CID 3750088
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methylsulfanylbenzenesulfonamide
CID 100517507
N-(1,3-benzodioxol-5-yl)-4-chloro-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46022171
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100528191
methyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503125
N-(1,3-benzodioxol-5-yl)-N-ethyl-2-fluorobenzenesulfonamide
CID 3434417
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 126325883
ethyl 2-[1,3-benzodioxol-5-yl-(4-fluorophenyl)sulfonylamino]acetate
CID 100503153
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 30882836
N-ethyl-N-(4-methoxyphenyl)-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 20944918
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 132611031
2-[1,3-benzodioxol-5-yl(ethylsulfonyl)amino]-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 99950417

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide (CID 3670395) is N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide is CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is NQVUJUGMIHLXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-3-17(12-4-9-15-16(10-12)22-11-21-15)23(18,19)14-7-5-13(20-2)6-8-14/h4-10H,3,11H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide?
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 335.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 3670395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).