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

C22H15N3O3S2 — CID 71718086

IUPAC3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C22H15N3O3S2/c23-15-17-14-18(30(26,27)25-22-24-12-13-29-22)10-11-20(17)28-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChIKeyMELSZUPTQDXPSV-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.27
Rot. Bonds6

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

3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71718086) has the molecular formula C22H15N3O3S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71718086
Molecular FormulaC22H15N3O3S2
Molecular Weight433.51 g/mol
Exact Mass433.06
IUPAC Name3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1
InChIInChI=1S/C22H15N3O3S2/c23-15-17-14-18(30(26,27)25-22-24-12-13-29-22)10-11-20(17)28-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-14H,(H,24,25)
InChIKeyMELSZUPTQDXPSV-UHFFFAOYSA-N
XLogP5.27
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71718086) is 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccccc1-c1ccccc1.
What is the InChIKey of 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is MELSZUPTQDXPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O3S2/c23-15-17-14-18(30(26,27)25-22-24-12-13-29-22)10-11-20(17)28-21-9-5-4-8-19(21)16-6-2-1-3-7-16/h1-14H,(H,24,25).
What are the key properties of 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide?
3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-(2-phenylphenoxy)-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71718086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).