3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H18N2O3S2 — CID 71716937

IUPAC3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O3S2/c1-16-15-18(29(25,26)24-22-23-13-14-28-22)11-12-20(16)27-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
InChIKeyVZYWVZQASSRTRZ-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.71
Rot. Bonds6

About 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide

3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71716937) has the molecular formula C22H18N2O3S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71716937
Molecular FormulaC22H18N2O3S2
Molecular Weight422.53 g/mol
Exact Mass422.08
IUPAC Name3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C22H18N2O3S2/c1-16-15-18(29(25,26)24-22-23-13-14-28-22)11-12-20(16)27-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24)
InChIKeyVZYWVZQASSRTRZ-UHFFFAOYSA-N
XLogP5.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71716937) is 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is VZYWVZQASSRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S2/c1-16-15-18(29(25,26)24-22-23-13-14-28-22)11-12-20(16)27-21-10-6-5-9-19(21)17-7-3-2-4-8-17/h2-15H,1H3,(H,23,24).
What are the key properties of 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 5.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71716937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).