N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C13H15N3O4S2 — CID 21081378

IUPACN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(C)c1nsc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H15N3O4S2/c1-8(2)12-14-13(21-15-12)16-22(17,18)9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyWKDXYEFQIUMTDQ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.23
Rot. Bonds4

About N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 21081378) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID21081378
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCC(C)c1nsc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C13H15N3O4S2/c1-8(2)12-14-13(21-15-12)16-22(17,18)9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyWKDXYEFQIUMTDQ-UHFFFAOYSA-N
XLogP2.23
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35539040
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35539045
N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2273106
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43520660
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 11703994
N-(5-methyl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110727348
N-[2-(dimethylamino)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71790233
N-(2-propan-2-yloxyethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110602848

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 21081378) is N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CC(C)c1nsc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is WKDXYEFQIUMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S2/c1-8(2)12-14-13(21-15-12)16-22(17,18)9-3-4-10-11(7-9)20-6-5-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 21081378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).