N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide

C12H18ClN3O2S — CID 62732758

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CC3CCC2C3)c1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-16-7-14-12(11(16)13)19(17,18)15-6-10-5-8-2-3-9(10)4-8/h7-10,15H,2-6H2,1H3
InChIKeyOLRNRPOCARFBBH-UHFFFAOYSA-N
MW303.81 g/mol
LogP1.79
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide (PubChem CID 62732758) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.81 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide
PubChem CID62732758
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.81 g/mol
Exact Mass303.08
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NCC2CC3CCC2C3)c1Cl
InChIInChI=1S/C12H18ClN3O2S/c1-16-7-14-12(11(16)13)19(17,18)15-6-10-5-8-2-3-9(10)4-8/h7-10,15H,2-6H2,1H3
InChIKeyOLRNRPOCARFBBH-UHFFFAOYSA-N
XLogP1.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide 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-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide (CID 62732758) is N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NCC2CC3CCC2C3)c1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide?
The InChIKey is OLRNRPOCARFBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-16-7-14-12(11(16)13)19(17,18)15-6-10-5-8-2-3-9(10)4-8/h7-10,15H,2-6H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide has a molecular weight of 303.81 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-1-methylimidazole-4-sulfonamide is sourced from PubChem (CID 62732758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).