N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide

C12H14N4O3S — CID 81258188

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)n2ccnc2)c1C
InChIInChI=1S/C12H14N4O3S/c1-8-5-10(20(13,18)19)6-11(9(8)2)15-12(17)16-4-3-14-7-16/h3-7H,1-2H3,(H,15,17)(H2,13,18,19)
InChIKeySMONIRFCZHMMDZ-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.23
Rot. Bonds2

About N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide (PubChem CID 81258188) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide
PubChem CID81258188
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)n2ccnc2)c1C
InChIInChI=1S/C12H14N4O3S/c1-8-5-10(20(13,18)19)6-11(9(8)2)15-12(17)16-4-3-14-7-16/h3-7H,1-2H3,(H,15,17)(H2,13,18,19)
InChIKeySMONIRFCZHMMDZ-UHFFFAOYSA-N
XLogP1.23
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide (CID 81258188) is N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)n2ccnc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide?
The InChIKey is SMONIRFCZHMMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-8-5-10(20(13,18)19)6-11(9(8)2)15-12(17)16-4-3-14-7-16/h3-7H,1-2H3,(H,15,17)(H2,13,18,19).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide has a molecular weight of 294.34 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81258188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).