N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H15N3O4S2 — CID 3240548

IUPACN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O4S2/c21-26(22,14-3-4-15-16(8-14)24-7-6-23-15)19-10-13-11-25-17(20-13)12-2-1-5-18-9-12/h1-5,8-9,11,19H,6-7,10H2
InChIKeyDNFASSXKWVVUKK-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.45
Rot. Bonds5

About N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 3240548) has the molecular formula C17H15N3O4S2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID3240548
Molecular FormulaC17H15N3O4S2
Molecular Weight389.46 g/mol
Exact Mass389.05
IUPAC NameN-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H15N3O4S2/c21-26(22,14-3-4-15-16(8-14)24-7-6-23-15)19-10-13-11-25-17(20-13)12-2-1-5-18-9-12/h1-5,8-9,11,19H,6-7,10H2
InChIKeyDNFASSXKWVVUKK-UHFFFAOYSA-N
XLogP2.45
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 3240548) is N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is DNFASSXKWVVUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S2/c21-26(22,14-3-4-15-16(8-14)24-7-6-23-15)19-10-13-11-25-17(20-13)12-2-1-5-18-9-12/h1-5,8-9,11,19H,6-7,10H2.
What are the key properties of N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 389.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 3240548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).