N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C17H17N3O4S — CID 5310361

IUPACN-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C17H17N3O4S/c1-12-4-5-20-11-13(19-17(20)8-12)10-18-25(21,22)14-2-3-15-16(9-14)24-7-6-23-15/h2-5,8-9,11,18H,6-7,10H2,1H3
InChIKeyIUVYIWLUIGNFNB-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.89
Rot. Bonds4

About N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 5310361) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID5310361
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC NameN-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C17H17N3O4S/c1-12-4-5-20-11-13(19-17(20)8-12)10-18-25(21,22)14-2-3-15-16(9-14)24-7-6-23-15/h2-5,8-9,11,18H,6-7,10H2,1H3
InChIKeyIUVYIWLUIGNFNB-UHFFFAOYSA-N
XLogP1.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 5310361) is N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1.
What is the InChIKey of N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is IUVYIWLUIGNFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-12-4-5-20-11-13(19-17(20)8-12)10-18-25(21,22)14-2-3-15-16(9-14)24-7-6-23-15/h2-5,8-9,11,18H,6-7,10H2,1H3.
What are the key properties of N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 359.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 5310361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).