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

C23H21N3O3S — CID 20960148

IUPAC3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1C
InChIInChI=1S/C23H21N3O3S/c1-16-13-14-20(15-17(16)2)30(27,28)26-21(18-9-5-3-6-10-18)23-25-24-22(29-23)19-11-7-4-8-12-19/h3-15,21,26H,1-2H3
InChIKeyYAFZILUKQNIXEL-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.42
Rot. Bonds6

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

3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 20960148) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID20960148
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC Name3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1C
InChIInChI=1S/C23H21N3O3S/c1-16-13-14-20(15-17(16)2)30(27,28)26-21(18-9-5-3-6-10-18)23-25-24-22(29-23)19-11-7-4-8-12-19/h3-15,21,26H,1-2H3
InChIKeyYAFZILUKQNIXEL-UHFFFAOYSA-N
XLogP4.42
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710987
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710992
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 28887757
3-chloro-N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 92700767
3,4-dimethoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322110
N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711179
N-[(S)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 92711180
4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322095
N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92711167
3,4-dimethyl-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 2408945
N-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-chlorobenzenesulfonamide
CID 168752834

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 20960148) is 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(c2ccccc2)c2nnc(-c3ccccc3)o2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is YAFZILUKQNIXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-16-13-14-20(15-17(16)2)30(27,28)26-21(18-9-5-3-6-10-18)23-25-24-22(29-23)19-11-7-4-8-12-19/h3-15,21,26H,1-2H3.
What are the key properties of 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 20960148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).