2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide

C12H11ClN2O4S2 — CID 43415320

IUPAC2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H11ClN2O4S2/c1-7-11(20-12(13)14-7)21(16,17)15-8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6,15H,4-5H2,1H3
InChIKeyDHEOTRHCSQRJTC-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.68
Rot. Bonds3

About 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 43415320) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID43415320
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1nc(Cl)sc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C12H11ClN2O4S2/c1-7-11(20-12(13)14-7)21(16,17)15-8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6,15H,4-5H2,1H3
InChIKeyDHEOTRHCSQRJTC-UHFFFAOYSA-N
XLogP2.68
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide (CID 43415320) is 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide is Cc1nc(Cl)sc1S(=O)(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is DHEOTRHCSQRJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-7-11(20-12(13)14-7)21(16,17)15-8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 346.82 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 43415320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).