N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide

C23H21N3O4S — CID 18660524

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)n1
InChIInChI=1S/C23H21N3O4S/c1-15-16(2)25-30-23(15)26-31(27,28)21-9-5-4-7-19(21)17-11-13-18(14-12-17)20-8-6-10-22(24-20)29-3/h4-14,26H,1-3H3
InChIKeyBMAOUZFGVTXILM-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.83
Rot. Bonds6

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 18660524) has the molecular formula C23H21N3O4S and a molecular weight of 435.51 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide
PubChem CID18660524
Molecular FormulaC23H21N3O4S
Molecular Weight435.51 g/mol
Exact Mass435.13
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide
SMILESCOc1cccc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)n1
InChIInChI=1S/C23H21N3O4S/c1-15-16(2)25-30-23(15)26-31(27,28)21-9-5-4-7-19(21)17-11-13-18(14-12-17)20-8-6-10-22(24-20)29-3/h4-14,26H,1-3H3
InChIKeyBMAOUZFGVTXILM-UHFFFAOYSA-N
XLogP4.83
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide (CID 18660524) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide is COc1cccc(-c2ccc(-c3ccccc3S(=O)(=O)Nc3onc(C)c3C)cc2)n1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is BMAOUZFGVTXILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4S/c1-15-16(2)25-30-23(15)26-31(27,28)21-9-5-4-7-19(21)17-11-13-18(14-12-17)20-8-6-10-22(24-20)29-3/h4-14,26H,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 435.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[4-(6-methoxy-2-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 18660524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).