N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide

C14H15NO4S2 — CID 100550390

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-2-15(21(16,17)14-4-3-9-20-14)11-5-6-12-13(10-11)19-8-7-18-12/h3-6,9-10H,2,7-8H2,1H3
InChIKeyKWBDEBQAPZAKHP-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.73
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide (PubChem CID 100550390) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
PubChem CID100550390
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide
SMILESCCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1
InChIInChI=1S/C14H15NO4S2/c1-2-15(21(16,17)14-4-3-9-20-14)11-5-6-12-13(10-11)19-8-7-18-12/h3-6,9-10H,2,7-8H2,1H3
InChIKeyKWBDEBQAPZAKHP-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1,3-benzodioxol-5-yl(thiophen-2-ylsulfonyl)amino]acetate
CID 100549320
N-(3-amino-4-methoxyphenyl)-N-ethylthiophene-2-sulfonamide
CID 39452560
N-(4-bromo-3-chlorophenyl)-N-ethylthiophene-2-sulfonamide
CID 100551123
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-4-nitrobenzenesulfonamide
CID 100528191
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-ethylthiophene-2-sulfonamide
CID 100550027
N-ethyl-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 100550599
N-(1,3-benzodioxol-5-yl)-N-ethyl-4-methoxybenzenesulfonamide
CID 3670395
N-(1,3-benzodioxol-5-yl)-N-ethyl-2-fluorobenzenesulfonamide
CID 3434417
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 18190644
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dimethyl-5-nitro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 26545606
N-(2-aminophenyl)-N-ethylthiophene-2-sulfonamide
CID 62102311
N-(1,3-benzodioxol-5-yl)-N-ethylnaphthalene-2-sulfonamide
CID 3750088

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide (CID 100550390) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide is CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide?
The InChIKey is KWBDEBQAPZAKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c1-2-15(21(16,17)14-4-3-9-20-14)11-5-6-12-13(10-11)19-8-7-18-12/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylthiophene-2-sulfonamide is sourced from PubChem (CID 100550390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).