2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

C17H17N3O3S — CID 20934906

IUPAC2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NCc3cccnc3)c2)on1
InChIInChI=1S/C17H17N3O3S/c1-12-5-6-15(16-8-13(2)20-23-16)9-17(12)24(21,22)19-11-14-4-3-7-18-10-14/h3-10,19H,11H2,1-2H3
InChIKeyTZYICSMMEPAQPT-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 20934906) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID20934906
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(-c2ccc(C)c(S(=O)(=O)NCc3cccnc3)c2)on1
InChIInChI=1S/C17H17N3O3S/c1-12-5-6-15(16-8-13(2)20-23-16)9-17(12)24(21,22)19-11-14-4-3-7-18-10-14/h3-10,19H,11H2,1-2H3
InChIKeyTZYICSMMEPAQPT-UHFFFAOYSA-N
XLogP2.83
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide
CID 118093990
N-(3,4-Dimethyl-isoxazol-5-yl)-2-pyridin-3-yl-benzenesulfonamide
CID 9797546
N-(3,4-Dimethyl-isoxazol-5-yl)-2-pyridin-2-yl-benzenesulfonamide
CID 9949368
4-Methyl-1-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)benzenesulfonyl]piperidine
CID 16025168
4''-Pyridin-2-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 18660521
4''-Pyridin-3-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 19085510
US10112926, Example 7
CID 118470204
2-Ethyl-5-(3-methyl-1,2-oxazol-5-YL)-N-(5-methylpyridin-2-YL)benzene-1-sulfonamide
CID 16025030
5-(3,4-dimethyl-5-isoxazolyl)-2-methyl-N~1~-(2-pyridyl)-1-benzenesulfonamide
CID 16025035
2-methyl-5-(3-methyl-5-isoxazolyl)-N~1~-(6-methyl-2-pyridyl)-1-benzenesulfonamide
CID 16025140
N-[4-(Diethylamino)-2-methylphenyl]-2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzene-1-sulfonamide
CID 16025230
2-Methyl-5-(3-methyl-1,2-oxazol-5-YL)-N-(pyridin-2-YL)benzene-1-sulfonamide
CID 16025232

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 20934906) is 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3cccnc3)c2)on1.
What is the InChIKey of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is TZYICSMMEPAQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-12-5-6-15(16-8-13(2)20-23-16)9-17(12)24(21,22)19-11-14-4-3-7-18-10-14/h3-10,19H,11H2,1-2H3.
What are the key properties of 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 20934906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).