1-(benzenesulfonyl)pyrrole-2-carboxylic acid

C11H9NO4S — CID 83653929

IUPAC1-(benzenesulfonyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h1-8H,(H,13,14)
InChIKeyZHDFQVPZWKUCLL-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.42
Rot. Bonds3

About 1-(benzenesulfonyl)pyrrole-2-carboxylic acid

1-(benzenesulfonyl)pyrrole-2-carboxylic acid (PubChem CID 83653929) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrole-2-carboxylic acid
PubChem CID83653929
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name1-(benzenesulfonyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H9NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h1-8H,(H,13,14)
InChIKeyZHDFQVPZWKUCLL-UHFFFAOYSA-N
XLogP1.42
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
1-propan-2-ylsulfonylpyrrole-2-carboxylic acid
CID 83640701
1-(benzenesulfonyl)-N-(3,5-dichlorophenyl)pyrrole-2-carboxamide
CID 70983634
1-(benzenesulfonyl)-2-methylsulfonylpyrrole
CID 121219466
1-(benzenesulfonyl)-2-(trifluoromethyl)pyrrole
CID 23046295
methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
CID 2741384
1,3-bis[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-phenylpropan-1-one
CID 101387780
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
1-[1-(benzenesulfonyl)pyrrol-2-yl]-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]propane-1,2-dione
CID 69137739
1-(benzenesulfonyl)-2-(2,2-diiodoethyl)pyrrole
CID 11179262
1-[3-chloro-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]phenyl]sulfonylpyrrole-2-carboxylic acid
CID 10951766
1-(benzenesulfonyl)pyrrole-2-carbaldehyde;4-methylbenzene-1,3-dicarboxylic acid
CID 174450720

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(benzenesulfonyl)pyrrole-2-carboxylic acid (CID 83653929) is 1-(benzenesulfonyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(benzenesulfonyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)pyrrole-2-carboxylic acid?
The InChIKey is ZHDFQVPZWKUCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-11(14)10-7-4-8-12(10)17(15,16)9-5-2-1-3-6-9/h1-8H,(H,13,14).
What are the key properties of 1-(benzenesulfonyl)pyrrole-2-carboxylic acid?
1-(benzenesulfonyl)pyrrole-2-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 83653929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).