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

C18H19N3O4S — CID 7150796

IUPACN-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C18H19N3O4S/c1-13-5-7-21-12-14(20-18(21)10-13)4-6-19-26(22,23)15-2-3-16-17(11-15)25-9-8-24-16/h2-3,5,7,10-12,19H,4,6,8-9H2,1H3
InChIKeyPSWFNEVSQKTVNS-UHFFFAOYSA-N
MW373.43 g/mol
LogP1.93
Rot. Bonds5

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

N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 7150796) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID7150796
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCc1ccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1
InChIInChI=1S/C18H19N3O4S/c1-13-5-7-21-12-14(20-18(21)10-13)4-6-19-26(22,23)15-2-3-16-17(11-15)25-9-8-24-16/h2-3,5,7,10-12,19H,4,6,8-9H2,1H3
InChIKeyPSWFNEVSQKTVNS-UHFFFAOYSA-N
XLogP1.93
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 7150796) is N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is Cc1ccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1.
What is the InChIKey of N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is PSWFNEVSQKTVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-13-5-7-21-12-14(20-18(21)10-13)4-6-19-26(22,23)15-2-3-16-17(11-15)25-9-8-24-16/h2-3,5,7,10-12,19H,4,6,8-9H2,1H3.
What are the key properties of N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 373.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 7150796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).