4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid

C14H15NO4S2 — CID 61063461

IUPAC4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCCc2ccccc2)cs1
InChIInChI=1S/C14H15NO4S2/c16-14(17)13-9-12(10-20-13)21(18,19)15-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,16,17)
InChIKeyZEQIVMQGXMPXOJ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.36
Rot. Bonds7

About 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid

4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61063461) has the molecular formula C14H15NO4S2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61063461
Molecular FormulaC14H15NO4S2
Molecular Weight325.41 g/mol
Exact Mass325.04
IUPAC Name4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCCc2ccccc2)cs1
InChIInChI=1S/C14H15NO4S2/c16-14(17)13-9-12(10-20-13)21(18,19)15-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,16,17)
InChIKeyZEQIVMQGXMPXOJ-UHFFFAOYSA-N
XLogP2.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
4-(pentylsulfamoyl)thiophene-2-carboxylic acid
CID 61072767
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
4-(2-methylsulfinylethylsulfamoyl)thiophene-2-carboxylic acid
CID 104654649
4-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61073401
4-(3,3,3-trifluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 63618345
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
4-[methyl(2-phenylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61068586
4-(2,2,2-trifluoroethylsulfamoyl)thiophene-2-carboxylic acid
CID 55249941
4-[2-(3-methoxy-5-methylphenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 138032189
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
2-chloro-N-(3-phenylpropyl)pyrimidine-5-sulfonamide
CID 60905954

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid (CID 61063461) is 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NCCCc2ccccc2)cs1.
What is the InChIKey of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is ZEQIVMQGXMPXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S2/c16-14(17)13-9-12(10-20-13)21(18,19)15-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10,15H,4,7-8H2,(H,16,17).
What are the key properties of 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid?
4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylpropylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).