1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide

C8H10N6O3S — CID 62944648

IUPAC1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ncn[nH]2)cc1C(N)=O
InChIInChI=1S/C8H10N6O3S/c1-14-3-5(2-6(14)7(9)15)18(16,17)13-8-10-4-11-12-8/h2-4H,1H3,(H2,9,15)(H2,10,11,12,13)
InChIKeyXOIANFQDDZXVSF-UHFFFAOYSA-N
MW270.27 g/mol
LogP-0.96
Rot. Bonds4

About 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide

1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 62944648) has the molecular formula C8H10N6O3S and a molecular weight of 270.27 g/mol. Its IUPAC name is 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
PubChem CID62944648
Molecular FormulaC8H10N6O3S
Molecular Weight270.27 g/mol
Exact Mass270.05
IUPAC Name1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCn1cc(S(=O)(=O)Nc2ncn[nH]2)cc1C(N)=O
InChIInChI=1S/C8H10N6O3S/c1-14-3-5(2-6(14)7(9)15)18(16,17)13-8-10-4-11-12-8/h2-4H,1H3,(H2,9,15)(H2,10,11,12,13)
InChIKeyXOIANFQDDZXVSF-UHFFFAOYSA-N
XLogP-0.96
TPSA135.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 63666659
N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
CID 55154114
4-[(5-bromopyrazin-2-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 115733506
4-[[4-(methanesulfonamido)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 55573254
4-[(2-chloropyrimidin-4-yl)sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 116798901
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944136
4-[[4-(cyanomethyl)phenyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 37263793
4-[[(2R)-2-hydroxypropyl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 83030008
4-(2-hydroxypropylsulfamoyl)-1-methylpyrrole-2-carboxamide
CID 43502336
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
1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxamide
CID 35507297

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide (CID 62944648) is 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide is Cn1cc(S(=O)(=O)Nc2ncn[nH]2)cc1C(N)=O.
What is the InChIKey of 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is XOIANFQDDZXVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O3S/c1-14-3-5(2-6(14)7(9)15)18(16,17)13-8-10-4-11-12-8/h2-4H,1H3,(H2,9,15)(H2,10,11,12,13).
What are the key properties of 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 270.27 g/mol, XLogP of -0.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62944648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).