4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

C13H16N4O5S2 — CID 55573254

IUPAC4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1C(N)=O
InChIInChI=1S/C13H16N4O5S2/c1-17-8-11(7-12(17)13(14)18)24(21,22)16-10-5-3-9(4-6-10)15-23(2,19)20/h3-8,15-16H,1-2H3,(H2,14,18)
InChIKeyCRIYBQLHSZDXFN-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.30
Rot. Bonds6

About 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide

4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (PubChem CID 55573254) has the molecular formula C13H16N4O5S2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
PubChem CID55573254
Molecular FormulaC13H16N4O5S2
Molecular Weight372.43 g/mol
Exact Mass372.06
IUPAC Name4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1C(N)=O
InChIInChI=1S/C13H16N4O5S2/c1-17-8-11(7-12(17)13(14)18)24(21,22)16-10-5-3-9(4-6-10)15-23(2,19)20/h3-8,15-16H,1-2H3,(H2,14,18)
InChIKeyCRIYBQLHSZDXFN-UHFFFAOYSA-N
XLogP0.30
TPSA140.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_D(2)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297
4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 37263793
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
3-[(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylamino]-2-methylpropanoic acid
CID 62674475
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 62944648
4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 116798901
4-[(2-amino-2-methylpropyl)sulfamoyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119988182
1-methyl-4-[2-(methylamino)ethylsulfamoyl]pyrrole-2-carboxamide;hydrochloride
CID 119973057
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
1-methyl-4-[[4-(4-methylphenoxy)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 39992768

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide (CID 55573254) is 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is Cn1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1C(N)=O.
What is the InChIKey of 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CRIYBQLHSZDXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O5S2/c1-17-8-11(7-12(17)13(14)18)24(21,22)16-10-5-3-9(4-6-10)15-23(2,19)20/h3-8,15-16H,1-2H3,(H2,14,18).
What are the key properties of 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide?
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 55573254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).