3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide

C16H15N3O4S3 — CID 2105710

IUPAC3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C16H15N3O4S3/c1-12-3-2-4-15(11-12)26(22,23)18-13-5-7-14(8-6-13)25(20,21)19-16-17-9-10-24-16/h2-11,18H,1H3,(H,17,19)
InChIKeyDCILONLBQJXDGO-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.05
Rot. Bonds6

About 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide

3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2105710) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2105710
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC Name3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1
InChIInChI=1S/C16H15N3O4S3/c1-12-3-2-4-15(11-12)26(22,23)18-13-5-7-14(8-6-13)25(20,21)19-16-17-9-10-24-16/h2-11,18H,1H3,(H,17,19)
InChIKeyDCILONLBQJXDGO-UHFFFAOYSA-N
XLogP3.05
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Sulfathiazole
CID 5340
Sodium sulfathiazole
CID 12285822
Thiazosulfone
CID 10124
4-bromo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 1891999
Nitrosulfathiazole
CID 10127
3,4-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 2161811
3-phenyl-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}propanamide
CID 1115153
2-nitro-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
CID 1724694
N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-2-thiophenesulfonamide
CID 2207293
4-{5-[(4-methylphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolan-3-yl}-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 6364950
4-(3-(3-Chloro-4-methylphenyl)thioureido)-N-(thiazol-2-yl)benzenesulfonamide
CID 44582823
1-(p-Tolyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea
CID 44582824

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 2105710) is 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is DCILONLBQJXDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c1-12-3-2-4-15(11-12)26(22,23)18-13-5-7-14(8-6-13)25(20,21)19-16-17-9-10-24-16/h2-11,18H,1H3,(H,17,19).
What are the key properties of 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 409.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).