2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

C17H17N3O5S3 — CID 53011342

IUPAC2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17N3O5S3/c1-11-19-15(10-26-11)12-3-8-16(25-2)17(9-12)28(23,24)20-13-4-6-14(7-5-13)27(18,21)22/h3-10,20H,1-2H3,(H2,18,21,22)
InChIKeyQWTQVSAGKJYNRW-UHFFFAOYSA-N
MW439.54 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide

2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 53011342) has the molecular formula C17H17N3O5S3 and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID53011342
Molecular FormulaC17H17N3O5S3
Molecular Weight439.54 g/mol
Exact Mass439.03
IUPAC Name2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H17N3O5S3/c1-11-19-15(10-26-11)12-3-8-16(25-2)17(9-12)28(23,24)20-13-4-6-14(7-5-13)27(18,21)22/h3-10,20H,1-2H3,(H2,18,21,22)
InChIKeyQWTQVSAGKJYNRW-UHFFFAOYSA-N
XLogP2.58
TPSA128.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
N-(3-chloro-4-fluorophenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974307
N-(3-chloro-4-methoxyphenyl)-2-methyl-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 20974263
N-butan-2-yl-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036300
N-(2-chloro-4-methylphenyl)-2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53036320
4-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 43173625
N-(2,4-dimethoxyphenyl)-2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)benzenesulfonamide
CID 53117941
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylethyl)benzenesulfonamide
CID 53036322
2-methyl-4-[4-(sulfamoylamino)phenyl]-1,3-thiazole
CID 112573169
2-ethoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 53117968
[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]hydrazine
CID 15335263
2,5-dimethoxy-N-[4-[2-(2-methylphenyl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 108784145

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 53011342) is 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is COc1ccc(-c2csc(C)n2)cc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is QWTQVSAGKJYNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S3/c1-11-19-15(10-26-11)12-3-8-16(25-2)17(9-12)28(23,24)20-13-4-6-14(7-5-13)27(18,21)22/h3-10,20H,1-2H3,(H2,18,21,22).
What are the key properties of 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide?
2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 439.54 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 53011342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).