4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide

C24H24N2O6S — CID 134129901

IUPAC4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide
SMILESCOc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC
InChIInChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1
InChIKeyHHWYFTNQJISJLG-SFTDATJTSA-N
MW468.53 g/mol
LogP3.23
Rot. Bonds7

About 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide

4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide (PubChem CID 134129901) has the molecular formula C24H24N2O6S and a molecular weight of 468.53 g/mol. Its IUPAC name is 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide
PubChem CID134129901
Molecular FormulaC24H24N2O6S
Molecular Weight468.53 g/mol
Exact Mass468.14
IUPAC Name4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide
SMILESCOc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC
InChIInChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1
InChIKeyHHWYFTNQJISJLG-SFTDATJTSA-N
XLogP3.23
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide (CID 134129901) is 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide is COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1OC.
What is the InChIKey of 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide?
The InChIKey is HHWYFTNQJISJLG-SFTDATJTSA-N. The full InChI is InChI=1S/C24H24N2O6S/c1-30-19-14-13-18(22(31-2)23(19)32-3)21-20(15-7-5-4-6-8-15)24(27)26(21)16-9-11-17(12-10-16)33(25,28)29/h4-14,20-21H,1-3H3,(H2,25,28,29)/t20-,21-/m0/s1.
What are the key properties of 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide?
4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide has a molecular weight of 468.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-2-oxo-3-phenyl-4-(2,3,4-trimethoxyphenyl)azetidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 134129901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).