2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

C11H13ClN4O2S — CID 65230688

IUPAC2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H13ClN4O2S/c12-9-2-1-3-10(13)11(9)19(17,18)16-5-4-8-6-14-7-15-8/h1-3,6-7,16H,4-5,13H2,(H,14,15)
InChIKeyOUBWBDFBNKRKAC-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.17
Rot. Bonds5

About 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide

2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 65230688) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
PubChem CID65230688
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1cccc(Cl)c1S(=O)(=O)NCCc1cnc[nH]1
InChIInChI=1S/C11H13ClN4O2S/c12-9-2-1-3-10(13)11(9)19(17,18)16-5-4-8-6-14-7-15-8/h1-3,6-7,16H,4-5,13H2,(H,14,15)
InChIKeyOUBWBDFBNKRKAC-UHFFFAOYSA-N
XLogP1.17
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]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

3-N-[2-(1H-imidazol-5-yl)ethyl]benzene-1,3-disulfonamide
CID 65231464
3-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231599
2-amino-6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzenesulfonamide
CID 62038556
4-(aminomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 65231853
3-amino-5-chloro-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide
CID 103051653
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 65231952
2-amino-6-chloro-N-[2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 79756335
2-amino-6-chloro-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 80681368
2-amino-6-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzenesulfonamide
CID 106103895
2-amino-6-chloro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333183
4-hydrazinyl-N-[2-(1H-imidazol-5-yl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 107328062
2-(2-aminophenoxy)-N-[2-(1H-imidazol-5-yl)ethyl]ethanesulfonamide
CID 65230784

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide (CID 65230688) is 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is Nc1cccc(Cl)c1S(=O)(=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is OUBWBDFBNKRKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c12-9-2-1-3-10(13)11(9)19(17,18)16-5-4-8-6-14-7-15-8/h1-3,6-7,16H,4-5,13H2,(H,14,15).
What are the key properties of 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide?
2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 300.77 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 65230688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).