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

C22H19N3O4S — CID 92710992

IUPAC4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H19N3O4S/c1-28-18-12-14-19(15-13-18)30(26,27)25-20(16-8-4-2-5-9-16)22-24-23-21(29-22)17-10-6-3-7-11-17/h2-15,20,25H,1H3/t20-/m1/s1
InChIKeyCHJVYVSHYMPPBD-HXUWFJFHSA-N
MW421.48 g/mol
LogP3.81
Rot. Bonds7

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

4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 92710992) has the molecular formula C22H19N3O4S and a molecular weight of 421.48 g/mol. Its IUPAC name is 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
PubChem CID92710992
Molecular FormulaC22H19N3O4S
Molecular Weight421.48 g/mol
Exact Mass421.11
IUPAC Name4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H19N3O4S/c1-28-18-12-14-19(15-13-18)30(26,27)25-20(16-8-4-2-5-9-16)22-24-23-21(29-22)17-10-6-3-7-11-17/h2-15,20,25H,1H3/t20-/m1/s1
InChIKeyCHJVYVSHYMPPBD-HXUWFJFHSA-N
XLogP3.81
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(2-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzenesulfonamide
CID 92711167
3,4-dimethyl-N-[phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 20960148
N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 28887757
N-[(4-bromophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-methylbenzenesulfonamide
CID 166175665
2,4,6-trimethyl-N-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 92710987
3-chloro-N-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 92700767
N-[[3,4-bis(hydroxymethyl)-5-methoxyphenyl]-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-chlorobenzenesulfonamide
CID 168752834
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
N-[(S)-(4-methoxyphenyl)-phenylmethyl]naphthalene-2-sulfonamide
CID 1259617
4-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)-phenylmethyl]benzenesulfonamide
CID 110322095

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide (CID 92710992) is 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is CHJVYVSHYMPPBD-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19N3O4S/c1-28-18-12-14-19(15-13-18)30(26,27)25-20(16-8-4-2-5-9-16)22-24-23-21(29-22)17-10-6-3-7-11-17/h2-15,20,25H,1H3/t20-/m1/s1.
What are the key properties of 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide?
4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 421.48 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(R)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 92710992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).