1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid

C11H8BrNO4S — CID 84608718

IUPAC1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C11H8BrNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-7H,(H,14,15)
InChIKeyPMPMTFNUYCNFIZ-UHFFFAOYSA-N
MW330.16 g/mol
LogP2.19
Rot. Bonds3

About 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid

1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid (PubChem CID 84608718) has the molecular formula C11H8BrNO4S and a molecular weight of 330.16 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid
PubChem CID84608718
Molecular FormulaC11H8BrNO4S
Molecular Weight330.16 g/mol
Exact Mass328.94
IUPAC Name1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid
SMILESO=C(O)c1ccn(S(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C11H8BrNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-7H,(H,14,15)
InChIKeyPMPMTFNUYCNFIZ-UHFFFAOYSA-N
XLogP2.19
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)sulfonyl-3-methylpyrrole
CID 69499935
1-(benzenesulfonyl)pyrrole-3-carboxylic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174568376
4-[1-(benzenesulfonyl)pyrrol-3-yl]-4-oxobutanoic acid
CID 2764521
(E)-N-[1-(4-bromophenyl)sulfonylpyrrol-3-yl]-3-(oxan-2-yloxy)prop-2-enamide
CID 68635999
5-[1-(benzenesulfonyl)pyrrol-3-yl]-5-oxopentanoic acid
CID 122705238
2-methyl-2-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119199273
[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-thiophen-3-ylmethanone
CID 74888827
3-buta-1,3-dien-2-yl-1-(4-methylphenyl)sulfonylpyrrole
CID 139226054
3-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]butanoic acid
CID 119221019
2-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoic acid
CID 10589806
1-[[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119176545
(3S)-1-[1-(4-methylphenyl)sulfonylpyrrole-3-carbonyl]piperidine-3-carboxylic acid
CID 119173841

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid?
The IUPAC name of 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid (CID 84608718) is 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid.
What is the SMILES notation for 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid?
The canonical SMILES for 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid is O=C(O)c1ccn(S(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid?
The InChIKey is PMPMTFNUYCNFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-7H,(H,14,15).
What are the key properties of 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid?
1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid has a molecular weight of 330.16 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonylpyrrole-3-carboxylic acid is sourced from PubChem (CID 84608718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).