4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid

C9H14N2O6S3 — CID 63328601

IUPAC4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C9H14N2O6S3/c1-6-8(5-7(18-6)9(12)13)20(16,17)11-4-3-10-19(2,14)15/h5,10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyPSVBVLZERXTVMZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP-0.42
Rot. Bonds7

About 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid

4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid (PubChem CID 63328601) has the molecular formula C9H14N2O6S3 and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
PubChem CID63328601
Molecular FormulaC9H14N2O6S3
Molecular Weight342.42 g/mol
Exact Mass342.00
IUPAC Name4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1S(=O)(=O)NCCNS(C)(=O)=O
InChIInChI=1S/C9H14N2O6S3/c1-6-8(5-7(18-6)9(12)13)20(16,17)11-4-3-10-19(2,14)15/h5,10-11H,3-4H2,1-2H3,(H,12,13)
InChIKeyPSVBVLZERXTVMZ-UHFFFAOYSA-N
XLogP-0.42
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methoxyethoxy)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 63329093
4-[(2-hydroxy-2-methylbutyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 65105337
4-(3-ethylsulfanylpropylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 114247853
5-methyl-4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 63328152
5-methyl-4-(3-methylbut-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114155436
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 63328239
4-[(2-hydroxyphenyl)methylsulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 114331362
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 106275781
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
4-(2-imidazol-1-ylethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328610
4-(cyclohexylmethylsulfamoyl)-5-methylthiophene-2-carboxylic acid
CID 63328331
5-methyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 55260464

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The IUPAC name of 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid (CID 63328601) is 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The canonical SMILES for 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1S(=O)(=O)NCCNS(C)(=O)=O.
What is the InChIKey of 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
The InChIKey is PSVBVLZERXTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6S3/c1-6-8(5-7(18-6)9(12)13)20(16,17)11-4-3-10-19(2,14)15/h5,10-11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid?
4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of -0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methanesulfonamido)ethylsulfamoyl]-5-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 63328601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).