4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C18H17N3O4S — CID 1310191

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O4S/c1-13-12-17(20-25-13)19-18(22)14-8-10-15(11-9-14)21(2)26(23,24)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,19,20,22)
InChIKeyRBQWPZZOSRJEKA-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.06
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 1310191) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID1310191
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1
InChIInChI=1S/C18H17N3O4S/c1-13-12-17(20-25-13)19-18(22)14-8-10-15(11-9-14)21(2)26(23,24)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,19,20,22)
InChIKeyRBQWPZZOSRJEKA-UHFFFAOYSA-N
XLogP3.06
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 1310191) is 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is Cc1cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is RBQWPZZOSRJEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-13-12-17(20-25-13)19-18(22)14-8-10-15(11-9-14)21(2)26(23,24)16-6-4-3-5-7-16/h3-12H,1-2H3,(H,19,20,22).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 371.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 1310191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).