4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C23H16N4O4S2 — CID 90047716

IUPAC4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)cc1
InChIInChI=1S/C23H16N4O4S2/c1-14-7-10-17(11-8-14)33(29,30)27-23-26-25-21(31-23)20(28)22-24-18-12-9-16(13-19(18)32-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
InChIKeyPRMNZAFCTVVKFB-UHFFFAOYSA-N
MW476.54 g/mol
LogP4.69
Rot. Bonds6

About 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide

4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 90047716) has the molecular formula C23H16N4O4S2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID90047716
Molecular FormulaC23H16N4O4S2
Molecular Weight476.54 g/mol
Exact Mass476.06
IUPAC Name4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)cc1
InChIInChI=1S/C23H16N4O4S2/c1-14-7-10-17(11-8-14)33(29,30)27-23-26-25-21(31-23)20(28)22-24-18-12-9-16(13-19(18)32-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)
InChIKeyPRMNZAFCTVVKFB-UHFFFAOYSA-N
XLogP4.69
TPSA115.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 90047716) is 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)cc1.
What is the InChIKey of 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is PRMNZAFCTVVKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O4S2/c1-14-7-10-17(11-8-14)33(29,30)27-23-26-25-21(31-23)20(28)22-24-18-12-9-16(13-19(18)32-22)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27).
What are the key properties of 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 476.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(6-phenyl-1,3-benzothiazole-2-carbonyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 90047716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).