5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid

C14H13NO4S2 — CID 61027110

IUPAC5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H13NO4S2/c16-14(17)12-6-7-13(20-12)21(18,19)15-11-5-4-9-2-1-3-10(9)8-11/h4-8,15H,1-3H2,(H,16,17)
InChIKeyWRLPFCNACZWGFU-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid

5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 61027110) has the molecular formula C14H13NO4S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID61027110
Molecular FormulaC14H13NO4S2
Molecular Weight323.40 g/mol
Exact Mass323.03
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)s1
InChIInChI=1S/C14H13NO4S2/c16-14(17)12-6-7-13(20-12)21(18,19)15-11-5-4-9-2-1-3-10(9)8-11/h4-8,15H,1-3H2,(H,16,17)
InChIKeyWRLPFCNACZWGFU-UHFFFAOYSA-N
XLogP2.74
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-iodophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 54907564
5-[(4-bromo-3-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026736
5-[(3-fluoro-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026479
5-[(3-bromo-4-methylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 63334136
5-(1,2-oxazol-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 62904176
5-methyl-N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]thiophene-2-sulfonamide
CID 7498939
5-(aminomethyl)-N-(2,3-dihydro-1H-inden-5-yl)-2-methylthiophene-3-sulfonamide
CID 106059579
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
5-(cyclooctylsulfamoyl)thiophene-2-carboxylic acid
CID 61026859
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)-4-methylbenzenesulfonamide
CID 5019779
5-[(5-chloro-2-fluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026497
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5-methylthiophene-2-sulfonamide
CID 16944214

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid (CID 61027110) is 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)s1.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is WRLPFCNACZWGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S2/c16-14(17)12-6-7-13(20-12)21(18,19)15-11-5-4-9-2-1-3-10(9)8-11/h4-8,15H,1-3H2,(H,16,17).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid?
5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 323.40 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 61027110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).