N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide

C18H23N3O2S — CID 6603710

IUPACN-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2cnc[nH]2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-24(22,23)21-16-10-6-9-15(11-16)18(17-12-19-13-20-17)14-7-4-3-5-8-14/h6,9-13,21H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyMTZVJHSZYMWIAG-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.94
Rot. Bonds5

About N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide

N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide (PubChem CID 6603710) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide
PubChem CID6603710
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2cnc[nH]2)c1
InChIInChI=1S/C18H23N3O2S/c1-2-24(22,23)21-16-10-6-9-15(11-16)18(17-12-19-13-20-17)14-7-4-3-5-8-14/h6,9-13,21H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyMTZVJHSZYMWIAG-UHFFFAOYSA-N
XLogP3.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide (CID 6603710) is N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(C(=C2CCCCC2)c2cnc[nH]2)c1.
What is the InChIKey of N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide?
The InChIKey is MTZVJHSZYMWIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-2-24(22,23)21-16-10-6-9-15(11-16)18(17-12-19-13-20-17)14-7-4-3-5-8-14/h6,9-13,21H,2-5,7-8H2,1H3,(H,19,20).
What are the key properties of N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide?
N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexylidene(1H-imidazol-5-yl)methyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 6603710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).