5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide

C12H20ClN3O2S — CID 55137027

IUPAC5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C12H20ClN3O2S/c1-9-3-5-10(6-4-9)7-15-19(17,18)12-11(13)16(2)8-14-12/h8-10,15H,3-7H2,1-2H3
InChIKeyFOPGKRIWJSCAEN-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.18
Rot. Bonds4

About 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide

5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide (PubChem CID 55137027) has the molecular formula C12H20ClN3O2S and a molecular weight of 305.83 g/mol. Its IUPAC name is 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide
PubChem CID55137027
Molecular FormulaC12H20ClN3O2S
Molecular Weight305.83 g/mol
Exact Mass305.10
IUPAC Name5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ncn(C)c2Cl)CC1
InChIInChI=1S/C12H20ClN3O2S/c1-9-3-5-10(6-4-9)7-15-19(17,18)12-11(13)16(2)8-14-12/h8-10,15H,3-7H2,1-2H3
InChIKeyFOPGKRIWJSCAEN-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide?
The IUPAC name of 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide (CID 55137027) is 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide is CC1CCC(CNS(=O)(=O)c2ncn(C)c2Cl)CC1.
What is the InChIKey of 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide?
The InChIKey is FOPGKRIWJSCAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O2S/c1-9-3-5-10(6-4-9)7-15-19(17,18)12-11(13)16(2)8-14-12/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide?
5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-N-[(4-methylcyclohexyl)methyl]imidazole-4-sulfonamide is sourced from PubChem (CID 55137027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).