5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide

C17H17N5O3S — CID 24759721

IUPAC5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C17H17N5O3S/c18-9-12-10-20-16(21-12)17(23)22-15-7-6-13(26(19,24)25)8-14(15)11-4-2-1-3-5-11/h4,6-8,10H,1-3,5H2,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyOPOGKQJPRMZSCG-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.14
Rot. Bonds4

About 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide

5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide (PubChem CID 24759721) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide
PubChem CID24759721
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC Name5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide
SMILESN#Cc1cnc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C2=CCCCC2)[nH]1
InChIInChI=1S/C17H17N5O3S/c18-9-12-10-20-16(21-12)17(23)22-15-7-6-13(26(19,24)25)8-14(15)11-4-2-1-3-5-11/h4,6-8,10H,1-3,5H2,(H,20,21)(H,22,23)(H2,19,24,25)
InChIKeyOPOGKQJPRMZSCG-UHFFFAOYSA-N
XLogP2.14
TPSA141.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide (CID 24759721) is 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide is N#Cc1cnc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C2=CCCCC2)[nH]1.
What is the InChIKey of 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide?
The InChIKey is OPOGKQJPRMZSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c18-9-12-10-20-16(21-12)17(23)22-15-7-6-13(26(19,24)25)8-14(15)11-4-2-1-3-5-11/h4,6-8,10H,1-3,5H2,(H,20,21)(H,22,23)(H2,19,24,25).
What are the key properties of 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide?
5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-(cyclohexen-1-yl)-4-sulfamoylphenyl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 24759721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).