N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide

C21H18N4O3S2 — CID 44581647

IUPACN-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1
InChIInChI=1S/C21H18N4O3S2/c1-28-19-11-10-17(13-23-19)25(30(26,27)21-9-5-6-12-22-21)14-20-24-18(15-29-20)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
InChIKeyOVIDPZAVLGFRQA-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.00
Rot. Bonds7

About N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide

N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide (PubChem CID 44581647) has the molecular formula C21H18N4O3S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide
PubChem CID44581647
Molecular FormulaC21H18N4O3S2
Molecular Weight438.53 g/mol
Exact Mass438.08
IUPAC NameN-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1
InChIInChI=1S/C21H18N4O3S2/c1-28-19-11-10-17(13-23-19)25(30(26,27)21-9-5-6-12-22-21)14-20-24-18(15-29-20)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3
InChIKeyOVIDPZAVLGFRQA-UHFFFAOYSA-N
XLogP4.00
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide (CID 44581647) is N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide is COc1ccc(N(Cc2nc(-c3ccccc3)cs2)S(=O)(=O)c2ccccn2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is OVIDPZAVLGFRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3S2/c1-28-19-11-10-17(13-23-19)25(30(26,27)21-9-5-6-12-22-21)14-20-24-18(15-29-20)16-7-3-2-4-8-16/h2-13,15H,14H2,1H3.
What are the key properties of N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide?
N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 44581647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).