methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

C12H11BrN2O4S — CID 20914906

IUPACmethyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c[nH]1
InChIInChI=1S/C12H11BrN2O4S/c1-19-12(16)11-6-10(7-14-11)20(17,18)15-9-4-2-3-8(13)5-9/h2-7,14-15H,1H3
InChIKeyCKELWVWNVPTGIK-UHFFFAOYSA-N
MW359.20 g/mol
LogP2.36
Rot. Bonds4

About methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate

methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (PubChem CID 20914906) has the molecular formula C12H11BrN2O4S and a molecular weight of 359.20 g/mol. Its IUPAC name is methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
PubChem CID20914906
Molecular FormulaC12H11BrN2O4S
Molecular Weight359.20 g/mol
Exact Mass357.96
IUPAC Namemethyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c[nH]1
InChIInChI=1S/C12H11BrN2O4S/c1-19-12(16)11-6-10(7-14-11)20(17,18)15-9-4-2-3-8(13)5-9/h2-7,14-15H,1H3
InChIKeyCKELWVWNVPTGIK-UHFFFAOYSA-N
XLogP2.36
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
4-[[3-(methoxymethyl)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701071
4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
methyl 4-(propylsulfamoyl)-1H-pyrrole-2-carboxylate
CID 6625900
methyl 2-[(3-bromophenyl)sulfonylamino]-6-methylbenzoate
CID 17480748
4-[(3-bromo-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 115663160
4-[1-(3-bromophenyl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43701897
4-[(2-bromo-5-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62732887
N-(3-bromophenyl)-3,5-difluorobenzenesulfonamide
CID 26951692
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
4-[(3,4-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 28525667
3-[(3-bromophenyl)sulfonylamino]-N-methylbenzamide
CID 31580763

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate (CID 20914906) is methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is COC(=O)c1cc(S(=O)(=O)Nc2cccc(Br)c2)c[nH]1.
What is the InChIKey of methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
The InChIKey is CKELWVWNVPTGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4S/c1-19-12(16)11-6-10(7-14-11)20(17,18)15-9-4-2-3-8(13)5-9/h2-7,14-15H,1H3.
What are the key properties of methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate?
methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate has a molecular weight of 359.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-bromophenyl)sulfamoyl]-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 20914906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).