2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide

C12H15N3O4S3 — CID 2738725

IUPAC2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H15N3O4S3/c1-8-12(20-9(2)15-8)22(18,19)14-7-10-3-5-11(6-4-10)21(13,16)17/h3-6,14H,7H2,1-2H3,(H2,13,16,17)
InChIKeyXGXRNKBKJSUSMI-UHFFFAOYSA-N
MW361.47 g/mol
LogP0.89
Rot. Bonds5

About 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide

2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide (PubChem CID 2738725) has the molecular formula C12H15N3O4S3 and a molecular weight of 361.47 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide
PubChem CID2738725
Molecular FormulaC12H15N3O4S3
Molecular Weight361.47 g/mol
Exact Mass361.02
IUPAC Name2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide
SMILESCc1nc(C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)s1
InChIInChI=1S/C12H15N3O4S3/c1-8-12(20-9(2)15-8)22(18,19)14-7-10-3-5-11(6-4-10)21(13,16)17/h3-6,14H,7H2,1-2H3,(H2,13,16,17)
InChIKeyXGXRNKBKJSUSMI-UHFFFAOYSA-N
XLogP0.89
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide (CID 2738725) is 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide is Cc1nc(C)c(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)s1.
What is the InChIKey of 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
The InChIKey is XGXRNKBKJSUSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S3/c1-8-12(20-9(2)15-8)22(18,19)14-7-10-3-5-11(6-4-10)21(13,16)17/h3-6,14H,7H2,1-2H3,(H2,13,16,17).
What are the key properties of 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide?
2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(4-sulfamoylphenyl)methyl]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 2738725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).