4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H11NO4S3 — CID 61072744

IUPAC4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2csc(C(=O)O)c2)s1
InChIInChI=1S/C11H11NO4S3/c1-7-2-3-8(18-7)5-12-19(15,16)9-4-10(11(13)14)17-6-9/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeySQWZBYXUKKBYIV-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.29
Rot. Bonds5

About 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid

4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 61072744) has the molecular formula C11H11NO4S3 and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID61072744
Molecular FormulaC11H11NO4S3
Molecular Weight317.41 g/mol
Exact Mass316.99
IUPAC Name4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2csc(C(=O)O)c2)s1
InChIInChI=1S/C11H11NO4S3/c1-7-2-3-8(18-7)5-12-19(15,16)9-4-10(11(13)14)17-6-9/h2-4,6,12H,5H2,1H3,(H,13,14)
InChIKeySQWZBYXUKKBYIV-UHFFFAOYSA-N
XLogP2.29
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4,5-dimethylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 65246293
3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072894
4-[(4-methyl-1,3-thiazol-5-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 55248975
4-methyl-3-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 61072748
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
3-fluoro-4-[(5-methylthiophen-2-yl)methylsulfamoyl]benzoic acid
CID 79177879
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
3,5-dimethyl-4-[(5-methylthiophen-2-yl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81434604
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]thiophene-2-carboxylic acid
CID 97313462

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 61072744) is 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1ccc(CNS(=O)(=O)c2csc(C(=O)O)c2)s1.
What is the InChIKey of 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is SQWZBYXUKKBYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S3/c1-7-2-3-8(18-7)5-12-19(15,16)9-4-10(11(13)14)17-6-9/h2-4,6,12H,5H2,1H3,(H,13,14).
What are the key properties of 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 317.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylthiophen-2-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 61072744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).