N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide

C17H25N3O2S — CID 110446613

IUPACN-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCCCn2ccnc2)cc1C
InChIInChI=1S/C17H25N3O2S/c1-15-7-8-17(13-16(15)2)23(21,22)19-9-5-3-4-6-11-20-12-10-18-14-20/h7-8,10,12-14,19H,3-6,9,11H2,1-2H3
InChIKeyCKCWDDAKXCUNJU-UHFFFAOYSA-N
MW335.47 g/mol
LogP3.04
Rot. Bonds9

About N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide

N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 110446613) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
PubChem CID110446613
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCCCn2ccnc2)cc1C
InChIInChI=1S/C17H25N3O2S/c1-15-7-8-17(13-16(15)2)23(21,22)19-9-5-3-4-6-11-20-12-10-18-14-20/h7-8,10,12-14,19H,3-6,9,11H2,1-2H3
InChIKeyCKCWDDAKXCUNJU-UHFFFAOYSA-N
XLogP3.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281
N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
CID 2851956
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 43455140
N-(6-imidazol-1-ylhexyl)methanesulfonamide
CID 110441232
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-[2-ethoxy-5-(3-imidazol-1-ylpropylsulfamoyl)phenyl]acetamide
CID 6491904
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide (CID 110446613) is N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCCCn2ccnc2)cc1C.
What is the InChIKey of N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is CKCWDDAKXCUNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-15-7-8-17(13-16(15)2)23(21,22)19-9-5-3-4-6-11-20-12-10-18-14-20/h7-8,10,12-14,19H,3-6,9,11H2,1-2H3.
What are the key properties of N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide?
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 3.04, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110446613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).