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

C18H15NO6S3 — CID 2811092

IUPAC4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C18H15NO6S3/c20-27(21,14-4-2-1-3-5-14)15-11-18(26-12-15)28(22,23)19-13-6-7-16-17(10-13)25-9-8-24-16/h1-7,10-12,19H,8-9H2
InChIKeyMRQQKTCHAKUQSW-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.15
Rot. Bonds5

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

4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (PubChem CID 2811092) has the molecular formula C18H15NO6S3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
PubChem CID2811092
Molecular FormulaC18H15NO6S3
Molecular Weight437.52 g/mol
Exact Mass437.01
IUPAC Name4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)c2ccccc2)cs1
InChIInChI=1S/C18H15NO6S3/c20-27(21,14-4-2-1-3-5-14)15-11-18(26-12-15)28(22,23)19-13-6-7-16-17(10-13)25-9-8-24-16/h1-7,10-12,19H,8-9H2
InChIKeyMRQQKTCHAKUQSW-UHFFFAOYSA-N
XLogP3.15
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(thiophen-2-ylsulfonylamino)benzamide
CID 46487765
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (CID 2811092) is 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(S(=O)(=O)c2ccccc2)cs1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The InChIKey is MRQQKTCHAKUQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO6S3/c20-27(21,14-4-2-1-3-5-14)15-11-18(26-12-15)28(22,23)19-13-6-7-16-17(10-13)25-9-8-24-16/h1-7,10-12,19H,8-9H2.
What are the key properties of 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide has a molecular weight of 437.52 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2811092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).