4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

C30H24N6O8S3 — CID 14870864

IUPAC4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(S(=O)(=O)c4ccc(-c5nnc(NS(=O)(=O)c6ccc(C)cc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C30H24N6O8S3/c1-19-3-11-25(12-4-19)46(39,40)35-29-33-31-27(43-29)21-7-15-23(16-8-21)45(37,38)24-17-9-22(10-18-24)28-32-34-30(44-28)36-47(41,42)26-13-5-20(2)6-14-26/h3-18H,1-2H3,(H,33,35)(H,34,36)
InChIKeyGHCSHNOGUYFQSX-UHFFFAOYSA-N
MW692.76 g/mol
LogP4.84
Rot. Bonds10

About 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide

4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (PubChem CID 14870864) has the molecular formula C30H24N6O8S3 and a molecular weight of 692.76 g/mol. Its IUPAC name is 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
PubChem CID14870864
Molecular FormulaC30H24N6O8S3
Molecular Weight692.76 g/mol
Exact Mass692.08
IUPAC Name4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(S(=O)(=O)c4ccc(-c5nnc(NS(=O)(=O)c6ccc(C)cc6)o5)cc4)cc3)o2)cc1
InChIInChI=1S/C30H24N6O8S3/c1-19-3-11-25(12-4-19)46(39,40)35-29-33-31-27(43-29)21-7-15-23(16-8-21)45(37,38)24-17-9-22(10-18-24)28-32-34-30(44-28)36-47(41,42)26-13-5-20(2)6-14-26/h3-18H,1-2H3,(H,33,35)(H,34,36)
InChIKeyGHCSHNOGUYFQSX-UHFFFAOYSA-N
XLogP4.84
TPSA204.32 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.76
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
3-chloro-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzenesulfonamide
CID 99800633
tert-butyl-[6-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazol-2-yl]carbamic acid
CID 67097473
4-fluoro-N-(5-methyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 104826666
4-chloro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725589
4-fluoro-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzenesulfonamide
CID 110725588
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene
CID 158182934
1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]benzene;1-methyl-4-[4-[4-[4-(4-methylphenyl)phenyl]sulfonylphenyl]phenyl]benzene;1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]benzene
CID 161103806
1-methyl-4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylbenzene
CID 14008088
1-methyl-4-[4-[4-(4-methylphenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzene
CID 2252474
4-[(4-methylphenyl)sulfonylamino]-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41004356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide (CID 14870864) is 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(S(=O)(=O)c4ccc(-c5nnc(NS(=O)(=O)c6ccc(C)cc6)o5)cc4)cc3)o2)cc1.
What is the InChIKey of 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
The InChIKey is GHCSHNOGUYFQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O8S3/c1-19-3-11-25(12-4-19)46(39,40)35-29-33-31-27(43-29)21-7-15-23(16-8-21)45(37,38)24-17-9-22(10-18-24)28-32-34-30(44-28)36-47(41,42)26-13-5-20(2)6-14-26/h3-18H,1-2H3,(H,33,35)(H,34,36).
What are the key properties of 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide?
4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide has a molecular weight of 692.76 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[4-[4-[5-[(4-methylphenyl)sulfonylamino]-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 14870864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).