3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

C13H20BrClN2O2S — CID 106546875

IUPAC3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H20BrClN2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)11-6-7-13(15)12(14)8-11/h6-8,10H,5,9H2,1-4H3
InChIKeyGYCJUIXYKVGBAI-UHFFFAOYSA-N
MW383.74 g/mol
LogP3.06
Rot. Bonds6

About 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide

3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (PubChem CID 106546875) has the molecular formula C13H20BrClN2O2S and a molecular weight of 383.74 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
PubChem CID106546875
Molecular FormulaC13H20BrClN2O2S
Molecular Weight383.74 g/mol
Exact Mass382.01
IUPAC Name3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C13H20BrClN2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)11-6-7-13(15)12(14)8-11/h6-8,10H,5,9H2,1-4H3
InChIKeyGYCJUIXYKVGBAI-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.74
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide 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-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-fluorobenzenesulfonamide
CID 103270437
3-bromo-4-chloro-N-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 106611794
2,5-dibromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103190536
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
3-bromo-4-chloro-N-[1-(diethylamino)propan-2-yl]benzenesulfonamide
CID 106612140
4-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-fluorobenzenesulfonamide
CID 103190530
4-(aminomethyl)-2-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103192333
3-amino-4-bromo-N-butan-2-yl-N-ethylbenzenesulfonamide
CID 113288288
3-bromo-4-chloro-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 106611181
3-bromo-4-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 106545578
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103192204

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide (CID 106546875) is 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
The InChIKey is GYCJUIXYKVGBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2O2S/c1-5-17(10(2)9-16(3)4)20(18,19)11-6-7-13(15)12(14)8-11/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide?
3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide has a molecular weight of 383.74 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 106546875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).