3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid

C11H13N3O4S2 — CID 106032772

IUPAC3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1c(CNS(=O)(=O)c2ccsc2C(=O)O)cnn1C
InChIInChI=1S/C11H13N3O4S2/c1-7-8(5-12-14(7)2)6-13-20(17,18)9-3-4-19-10(9)11(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyVXWPPZSYAQZSCR-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.97
Rot. Bonds5

About 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid

3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (PubChem CID 106032772) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
PubChem CID106032772
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
SMILESCc1c(CNS(=O)(=O)c2ccsc2C(=O)O)cnn1C
InChIInChI=1S/C11H13N3O4S2/c1-7-8(5-12-14(7)2)6-13-20(17,18)9-3-4-19-10(9)11(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyVXWPPZSYAQZSCR-UHFFFAOYSA-N
XLogP0.97
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
methyl 3-[(5-amino-1-methylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylate
CID 79529174
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106043704
3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61059093
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,4-dimethoxybenzenesulfonamide
CID 22209419
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 106049625
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106094908
4-amino-2-chloro-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106033797

Frequently Asked Questions

What is the IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid (CID 106032772) is 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is Cc1c(CNS(=O)(=O)c2ccsc2C(=O)O)cnn1C.
What is the InChIKey of 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is VXWPPZSYAQZSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-7-8(5-12-14(7)2)6-13-20(17,18)9-3-4-19-10(9)11(15)16/h3-5,13H,6H2,1-2H3,(H,15,16).
What are the key properties of 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid?
3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 315.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 106032772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).