4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C22H18N2O3S2 — CID 1203751

IUPAC4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H18N2O3S2/c1-27-19-11-13-20(14-12-19)29(25,26)24-18-9-7-16(8-10-18)21-15-28-22(23-21)17-5-3-2-4-6-17/h2-15,24H,1H3
InChIKeyMHTFASZZAVTSKN-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.29
Rot. Bonds6

About 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 1203751) has the molecular formula C22H18N2O3S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID1203751
Molecular FormulaC22H18N2O3S2
Molecular Weight422.53 g/mol
Exact Mass422.08
IUPAC Name4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C22H18N2O3S2/c1-27-19-11-13-20(14-12-19)29(25,26)24-18-9-7-16(8-10-18)21-15-28-22(23-21)17-5-3-2-4-6-17/h2-15,24H,1H3
InChIKeyMHTFASZZAVTSKN-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
CID 54774003
N-[4-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanesulfonamide
CID 9330105
2-methoxy-5-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]sulfamoyl]benzamide
CID 122286502
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 122286500
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 108784171
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 1203751) is 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is MHTFASZZAVTSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S2/c1-27-19-11-13-20(14-12-19)29(25,26)24-18-9-7-16(8-10-18)21-15-28-22(23-21)17-5-3-2-4-6-17/h2-15,24H,1H3.
What are the key properties of 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 1203751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).