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

C16H15N3O4S3 — CID 2055006

IUPAC4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C16H15N3O4S3/c1-12-2-6-14(7-3-12)25(20,21)18-13-4-8-15(9-5-13)26(22,23)19-16-17-10-11-24-16/h2-11,18H,1H3,(H,17,19)
InChIKeyVXEXELOVDNBUNW-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.05
Rot. Bonds6

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

4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 2055006) has the molecular formula C16H15N3O4S3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID2055006
Molecular FormulaC16H15N3O4S3
Molecular Weight409.51 g/mol
Exact Mass409.02
IUPAC Name4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1
InChIInChI=1S/C16H15N3O4S3/c1-12-2-6-14(7-3-12)25(20,21)18-13-4-8-15(9-5-13)26(22,23)19-16-17-10-11-24-16/h2-11,18H,1H3,(H,17,19)
InChIKeyVXEXELOVDNBUNW-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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide (CID 2055006) is 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is VXEXELOVDNBUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4S3/c1-12-2-6-14(7-3-12)25(20,21)18-13-4-8-15(9-5-13)26(22,23)19-16-17-10-11-24-16/h2-11,18H,1H3,(H,17,19).
What are the key properties of 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide?
4-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 4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2055006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).