4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide

C9H11BrCl2N2O2S — CID 120708767

IUPAC4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C9H11BrCl2N2O2S/c1-13-4-5-14-17(15,16)7-3-2-6(10)8(11)9(7)12/h2-3,13-14H,4-5H2,1H3
InChIKeyBWPMYIHGRLNPDG-UHFFFAOYSA-N
MW362.08 g/mol
LogP2.25
Rot. Bonds5

About 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide

4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide (PubChem CID 120708767) has the molecular formula C9H11BrCl2N2O2S and a molecular weight of 362.08 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide
PubChem CID120708767
Molecular FormulaC9H11BrCl2N2O2S
Molecular Weight362.08 g/mol
Exact Mass359.91
IUPAC Name4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide
SMILESCNCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C9H11BrCl2N2O2S/c1-13-4-5-14-17(15,16)7-3-2-6(10)8(11)9(7)12/h2-3,13-14H,4-5H2,1H3
InChIKeyBWPMYIHGRLNPDG-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.08
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 4-bromo-2,3-dichloro-N-[2-(methylamino)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

4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708903
2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973114
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
2-bromo-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708659
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
N-(2-amino-2-cyclopropylethyl)-4-bromo-2,3-dichlorobenzenesulfonamide
CID 120713331
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
2-chloro-N-[2-(methylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 62656822
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide (CID 120708767) is 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide is CNCCNS(=O)(=O)c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide?
The InChIKey is BWPMYIHGRLNPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrCl2N2O2S/c1-13-4-5-14-17(15,16)7-3-2-6(10)8(11)9(7)12/h2-3,13-14H,4-5H2,1H3.
What are the key properties of 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide?
4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide has a molecular weight of 362.08 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 120708767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).