1-methyl-4-sulfamoylpyrrole-2-carboxamide

C6H9N3O3S — CID 28818859

IUPAC1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(N)=O
InChIInChI=1S/C6H9N3O3S/c1-9-3-4(13(8,11)12)2-5(9)6(7)10/h2-3H,1H3,(H2,7,10)(H2,8,11,12)
InChIKeyFPFGZTIXKKCTRV-UHFFFAOYSA-N
MW203.22 g/mol
LogP-1.23
Rot. Bonds2

About 1-methyl-4-sulfamoylpyrrole-2-carboxamide

1-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 28818859) has the molecular formula C6H9N3O3S and a molecular weight of 203.22 g/mol. Its IUPAC name is 1-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID28818859
Molecular FormulaC6H9N3O3S
Molecular Weight203.22 g/mol
Exact Mass203.04
IUPAC Name1-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(N)=O
InChIInChI=1S/C6H9N3O3S/c1-9-3-4(13(8,11)12)2-5(9)6(7)10/h2-3H,1H3,(H2,7,10)(H2,8,11,12)
InChIKeyFPFGZTIXKKCTRV-UHFFFAOYSA-N
XLogP-1.23
TPSA108.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 28818859) is 1-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is FPFGZTIXKKCTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3S/c1-9-3-4(13(8,11)12)2-5(9)6(7)10/h2-3H,1H3,(H2,7,10)(H2,8,11,12).
What are the key properties of 1-methyl-4-sulfamoylpyrrole-2-carboxamide?
1-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 203.22 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 28818859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).