methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate

C14H17N3O6S2 — CID 2738735

IUPACmethyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)n1C
InChIInChI=1S/C14H17N3O6S2/c1-17-12(14(18)23-2)7-8-13(17)25(21,22)16-9-10-3-5-11(6-4-10)24(15,19)20/h3-8,16H,9H2,1-2H3,(H2,15,19,20)
InChIKeyXSOAUKSLMOYZBR-UHFFFAOYSA-N
MW387.44 g/mol
LogP-0.06
Rot. Bonds6

About methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate

methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate (PubChem CID 2738735) has the molecular formula C14H17N3O6S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate
PubChem CID2738735
Molecular FormulaC14H17N3O6S2
Molecular Weight387.44 g/mol
Exact Mass387.06
IUPAC Namemethyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)n1C
InChIInChI=1S/C14H17N3O6S2/c1-17-12(14(18)23-2)7-8-13(17)25(21,22)16-9-10-3-5-11(6-4-10)24(15,19)20/h3-8,16H,9H2,1-2H3,(H2,15,19,20)
InChIKeyXSOAUKSLMOYZBR-UHFFFAOYSA-N
XLogP-0.06
TPSA137.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate?
The IUPAC name of methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate (CID 2738735) is methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate is COC(=O)c1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)n1C.
What is the InChIKey of methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate?
The InChIKey is XSOAUKSLMOYZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O6S2/c1-17-12(14(18)23-2)7-8-13(17)25(21,22)16-9-10-3-5-11(6-4-10)24(15,19)20/h3-8,16H,9H2,1-2H3,(H2,15,19,20).
What are the key properties of methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate?
methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate has a molecular weight of 387.44 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[(4-sulfamoylphenyl)methylsulfamoyl]pyrrole-2-carboxylate is sourced from PubChem (CID 2738735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).