3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C15H17NO4S2 — CID 112826032

IUPAC3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H17NO4S2/c1-3-4-11-5-7-12(8-6-11)16-22(19,20)13-9-10(2)14(21-13)15(17)18/h5-9,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyCKKDAPDKGSKHKT-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.51
Rot. Bonds6

About 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 112826032) has the molecular formula C15H17NO4S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID112826032
Molecular FormulaC15H17NO4S2
Molecular Weight339.44 g/mol
Exact Mass339.06
IUPAC Name3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCCCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1
InChIInChI=1S/C15H17NO4S2/c1-3-4-11-5-7-12(8-6-11)16-22(19,20)13-9-10(2)14(21-13)15(17)18/h5-9,16H,3-4H2,1-2H3,(H,17,18)
InChIKeyCKKDAPDKGSKHKT-UHFFFAOYSA-N
XLogP3.51
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311160
3-methyl-5-[(4-methylsulfanylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43311197
5-[(3,5-dimethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311185
5-[(4-bromo-3-methylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43311184
3-methyl-5-[(4-propan-2-yloxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115560
3-methyl-5-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51121366
5-[(3-ethoxyphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 56796394
5-[(4-hydroxyphenyl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 114331333
5-(benzylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 43314482
5-(2,3-dihydroxypropylsulfamoyl)-3-methylthiophene-2-carboxylic acid
CID 66170587
5-[(5-ethylthiophen-2-yl)methylsulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 104654476
5-[(2,5-dibromophenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43716909

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 112826032) is 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid is CCCc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)O)s2)cc1.
What is the InChIKey of 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is CKKDAPDKGSKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S2/c1-3-4-11-5-7-12(8-6-11)16-22(19,20)13-9-10(2)14(21-13)15(17)18/h5-9,16H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-propylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 112826032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).