4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C14H14N2O4S — CID 107847878

IUPAC4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2Cc3ccccc3C2)c[nH]1
InChIInChI=1S/C14H14N2O4S/c17-14(18)13-7-12(8-15-13)21(19,20)16-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,15-16H,5-6H2,(H,17,18)
InChIKeyPBDBTEFWWJPWMT-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.16
Rot. Bonds4

About 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 107847878) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID107847878
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(S(=O)(=O)NC2Cc3ccccc3C2)c[nH]1
InChIInChI=1S/C14H14N2O4S/c17-14(18)13-7-12(8-15-13)21(19,20)16-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,15-16H,5-6H2,(H,17,18)
InChIKeyPBDBTEFWWJPWMT-UHFFFAOYSA-N
XLogP1.16
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-(dicyclopropylmethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61482761
4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79090564
3-bromo-4-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 107854598
3-[3-(2,3-dihydro-1H-inden-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 67019548
3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
2-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 45117541
4-(7-oxabicyclo[2.2.1]heptan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 80715171
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 107847878) is 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(S(=O)(=O)NC2Cc3ccccc3C2)c[nH]1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is PBDBTEFWWJPWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c17-14(18)13-7-12(8-15-13)21(19,20)16-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,15-16H,5-6H2,(H,17,18).
What are the key properties of 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 306.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 107847878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).