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

C9H12N6O3S — CID 55154114

IUPACN,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ncn[nH]2)cn1C
InChIInChI=1S/C9H12N6O3S/c1-10-8(16)7-3-6(4-15(7)2)19(17,18)14-9-11-5-12-13-9/h3-5H,1-2H3,(H,10,16)(H2,11,12,13,14)
InChIKeySSQTUVWCDIDDNO-UHFFFAOYSA-N
MW284.30 g/mol
LogP-0.70
Rot. Bonds4

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

N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 55154114) has the molecular formula C9H12N6O3S and a molecular weight of 284.30 g/mol. Its IUPAC name is N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
PubChem CID55154114
Molecular FormulaC9H12N6O3S
Molecular Weight284.30 g/mol
Exact Mass284.07
IUPAC NameN,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(=O)(=O)Nc2ncn[nH]2)cn1C
InChIInChI=1S/C9H12N6O3S/c1-10-8(16)7-3-6(4-15(7)2)19(17,18)14-9-11-5-12-13-9/h3-5H,1-2H3,(H,10,16)(H2,11,12,13,14)
InChIKeySSQTUVWCDIDDNO-UHFFFAOYSA-N
XLogP-0.70
TPSA121.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide (CID 55154114) is N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide is CNC(=O)c1cc(S(=O)(=O)Nc2ncn[nH]2)cn1C.
What is the InChIKey of N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is SSQTUVWCDIDDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3S/c1-10-8(16)7-3-6(4-15(7)2)19(17,18)14-9-11-5-12-13-9/h3-5H,1-2H3,(H,10,16)(H2,11,12,13,14).
What are the key properties of N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide?
N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 284.30 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-(1H-1,2,4-triazol-5-ylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55154114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).