5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide

C19H15N3O2S2 — CID 169452176

IUPAC5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1cccc2ncccc12
InChIInChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24)
InChIKeyFBQWYQWUVBYRAC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.98
Rot. Bonds3

About 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide

5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide (PubChem CID 169452176) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide
PubChem CID169452176
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide
SMILESCc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1cccc2ncccc12
InChIInChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24)
InChIKeyFBQWYQWUVBYRAC-UHFFFAOYSA-N
XLogP3.98
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide (CID 169452176) is 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide is Cc1cc(-c2ccc(S(N)(=O)=O)s2)cnc1-c1cccc2ncccc12.
What is the InChIKey of 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is FBQWYQWUVBYRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c1-12-10-13(17-7-8-18(25-17)26(20,23)24)11-22-19(12)15-4-2-6-16-14(15)5-3-9-21-16/h2-11H,1H3,(H2,20,23,24).
What are the key properties of 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide?
5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 381.48 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-6-quinolin-5-yl-3-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 169452176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).