N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide

C14H19N3O2S — CID 2851956

IUPACN-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C14H19N3O2S/c1-12-4-5-13(2)14(10-12)20(18,19)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeySWHBMVKBQNPFAU-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.87
Rot. Bonds6

About N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide

N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 2851956) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
PubChem CID2851956
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C14H19N3O2S/c1-12-4-5-13(2)14(10-12)20(18,19)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3
InChIKeySWHBMVKBQNPFAU-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445
5-(3,4-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430289
5-amino-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 28993569
2,5-dibromo-N-(3-imidazol-1-ylpropyl)-4-methylbenzenesulfonamide
CID 81427897
N-(3-imidazol-1-ylpropyl)-2,5-dimethylaniline
CID 54960830
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
5-(2,3-dichlorophenyl)sulfonyl-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 57430299
3-(2-imidazol-1-ylethylsulfamoyl)-4-methylbenzoic acid
CID 60681289
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2,3-dimethylbenzenesulfonamide
CID 57430295
2,3,4-trichloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 4914515
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide (CID 2851956) is N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCCn2ccnc2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is SWHBMVKBQNPFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-12-4-5-13(2)14(10-12)20(18,19)16-6-3-8-17-9-7-15-11-17/h4-5,7,9-11,16H,3,6,8H2,1-2H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide?
N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 2851956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).