4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

C12H10Br2N2O4S — CID 82877606

IUPAC4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)c2ccc(Br)cc2Br)c1C(=O)O
InChIInChI=1S/C12H10Br2N2O4S/c1-6-11(12(17)18)9(5-15-6)16-21(19,20)10-3-2-7(13)4-8(10)14/h2-5,15-16H,1H3,(H,17,18)
InChIKeyCLMCFBKHIWYSBO-UHFFFAOYSA-N
MW438.10 g/mol
LogP3.35
Rot. Bonds4

About 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid

4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (PubChem CID 82877606) has the molecular formula C12H10Br2N2O4S and a molecular weight of 438.10 g/mol. Its IUPAC name is 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
PubChem CID82877606
Molecular FormulaC12H10Br2N2O4S
Molecular Weight438.10 g/mol
Exact Mass435.87
IUPAC Name4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]cc(NS(=O)(=O)c2ccc(Br)cc2Br)c1C(=O)O
InChIInChI=1S/C12H10Br2N2O4S/c1-6-11(12(17)18)9(5-15-6)16-21(19,20)10-3-2-7(13)4-8(10)14/h2-5,15-16H,1H3,(H,17,18)
InChIKeyCLMCFBKHIWYSBO-UHFFFAOYSA-N
XLogP3.35
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.10
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,4-difluorophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877741
4-[(4-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877469
4-[(3-methoxyphenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82877622
2-methyl-4-(pyridin-3-ylsulfonylamino)-1H-pyrrole-3-carboxylic acid
CID 82880941
2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
CID 61061862
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82881181
2,4-dibromo-N-(4-bromo-2-ethylphenyl)benzenesulfonamide
CID 81288953
2,4-dibromo-N-(3-bromo-4-methylphenyl)benzenesulfonamide
CID 63421623
2,4-dibromo-N-(3-methylphenyl)benzenesulfonamide
CID 47257416
2-[(2,4-dibromophenyl)sulfonylamino]acetic acid
CID 60823111
4-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid
CID 82880853
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid (CID 82877606) is 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is Cc1[nH]cc(NS(=O)(=O)c2ccc(Br)cc2Br)c1C(=O)O.
What is the InChIKey of 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
The InChIKey is CLMCFBKHIWYSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br2N2O4S/c1-6-11(12(17)18)9(5-15-6)16-21(19,20)10-3-2-7(13)4-8(10)14/h2-5,15-16H,1H3,(H,17,18).
What are the key properties of 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid?
4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid has a molecular weight of 438.10 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dibromophenyl)sulfonylamino]-2-methyl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82877606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).