N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide

C14H15NO4S2 — CID 2535136

IUPACN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C14H15NO4S2/c16-21(17,14-2-1-9-20-14)15-6-5-11-3-4-12-13(10-11)19-8-7-18-12/h1-4,9-10,15H,5-8H2
InChIKeyGHCDTRBRFKWWAG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.04
Rot. Bonds5

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 2535136) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide
PubChem CID2535136
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC NameN-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C14H15NO4S2/c16-21(17,14-2-1-9-20-14)15-6-5-11-3-4-12-13(10-11)19-8-7-18-12/h1-4,9-10,15H,5-8H2
InChIKeyGHCDTRBRFKWWAG-UHFFFAOYSA-N
XLogP2.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 769090
2-[2-(3,4-Dimethoxyphenyl)ethyl]-1-thiophen-2-ylsulfonylguanidine
CID 7197486
5-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 2353985
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 24980411
N-(3,4-diethoxybenzyl)thiophene-2-sulfonamide
CID 6498917
N-((4-(thiophen-2-yl)tetrahydro-2H-pyran-4-yl)methyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 30944371
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]thiophene-2-sulfonamide
CID 45846570
N-(1,3-benzodioxol-5-ylmethyl)thiophene-2-sulfonamide
CID 769104
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)thiophene-2-sulfonamide
CID 2815575
N-(thiophen-3-ylmethyl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 25869487
N-{[1-(thiophen-2-yl)cyclopentyl]methyl}-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25882854
N-(1-(thiophen-2-yl)propan-2-yl)-2,3-dihydrobenzo[b][1,4]dioxine-6-sulfonamide
CID 45555141

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide (CID 2535136) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCc1ccc2c(c1)OCCO2)c1cccs1.
What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is GHCDTRBRFKWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-21(17,14-2-1-9-20-14)15-6-5-11-3-4-12-13(10-11)19-8-7-18-12/h1-4,9-10,15H,5-8H2.
What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 325.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2535136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).