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

C22H19N3O3S2 — CID 44581684

IUPACN-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2csc(-c3ccccc3)n2)S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-28-20-12-10-19(11-13-20)25(30(26,27)21-9-5-6-14-23-21)15-18-16-29-22(24-18)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
InChIKeyYXQWPYONLPPHHE-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.61
Rot. Bonds7

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

N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide (PubChem CID 44581684) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide
PubChem CID44581684
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide
SMILESCOc1ccc(N(Cc2csc(-c3ccccc3)n2)S(=O)(=O)c2ccccn2)cc1
InChIInChI=1S/C22H19N3O3S2/c1-28-20-12-10-19(11-13-20)25(30(26,27)21-9-5-6-14-23-21)15-18-16-29-22(24-18)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3
InChIKeyYXQWPYONLPPHHE-UHFFFAOYSA-N
XLogP4.61
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide (CID 44581684) is N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide is COc1ccc(N(Cc2csc(-c3ccccc3)n2)S(=O)(=O)c2ccccn2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide?
The InChIKey is YXQWPYONLPPHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-28-20-12-10-19(11-13-20)25(30(26,27)21-9-5-6-14-23-21)15-18-16-29-22(24-18)17-7-3-2-4-8-17/h2-14,16H,15H2,1H3.
What are the key properties of N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide?
N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide has a molecular weight of 437.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyridine-2-sulfonamide is sourced from PubChem (CID 44581684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).