N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide

C13H18N4O2S — CID 61325529

IUPACN-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-2-16-20(18,19)13-6-4-3-5-12(13)15-8-10-17-9-7-14-11-17/h3-7,9,11,15-16H,2,8,10H2,1H3
InChIKeyYONAXFOWYAOJNI-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.29
Rot. Bonds7

About N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide

N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide (PubChem CID 61325529) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
PubChem CID61325529
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1NCCn1ccnc1
InChIInChI=1S/C13H18N4O2S/c1-2-16-20(18,19)13-6-4-3-5-12(13)15-8-10-17-9-7-14-11-17/h3-7,9,11,15-16H,2,8,10H2,1H3
InChIKeyYONAXFOWYAOJNI-UHFFFAOYSA-N
XLogP1.29
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide 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

N-(2-imidazol-1-ylethyl)-2-(propylamino)benzenesulfonamide
CID 62153349
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325096
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
2-(difluoromethylsulfonyl)-N-(3-imidazol-1-ylpropyl)aniline
CID 43455408
2-chloro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 3794536
N-ethyl-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzenesulfonamide
CID 63330321
3-chloro-N-(2-imidazol-1-ylethyl)-2-methylbenzenesulfonamide
CID 39622822
3-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-2-sulfonamide
CID 103304330
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
CID 113465748
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide?
The IUPAC name of N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide (CID 61325529) is N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide is CCNS(=O)(=O)c1ccccc1NCCn1ccnc1.
What is the InChIKey of N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide?
The InChIKey is YONAXFOWYAOJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-2-16-20(18,19)13-6-4-3-5-12(13)15-8-10-17-9-7-14-11-17/h3-7,9,11,15-16H,2,8,10H2,1H3.
What are the key properties of N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide?
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 61325529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).