4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide

C14H23BrN2O2S — CID 102995889

IUPAC4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H23BrN2O2S/c1-4-17(11-5-10-16(2)3)20(18,19)14-8-6-13(12-15)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyQSNWAXRBTFZVOB-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.54
Rot. Bonds8

About 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide

4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide (PubChem CID 102995889) has the molecular formula C14H23BrN2O2S and a molecular weight of 363.32 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
PubChem CID102995889
Molecular FormulaC14H23BrN2O2S
Molecular Weight363.32 g/mol
Exact Mass362.07
IUPAC Name4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H23BrN2O2S/c1-4-17(11-5-10-16(2)3)20(18,19)14-8-6-13(12-15)7-9-14/h6-9H,4-5,10-12H2,1-3H3
InChIKeyQSNWAXRBTFZVOB-UHFFFAOYSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995932
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
4-[3-(dimethylamino)propyl-ethylsulfamoyl]benzoic acid
CID 102991760
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
N-[3-(diethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102992728
N-[3-(dimethylamino)propyl]-N-ethyl-3-hydroxybenzenesulfonamide
CID 102995327
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 65481019
3-amino-N-[3-(dimethylamino)propyl]-N-ethyl-4-fluorobenzenesulfonamide
CID 102991016
6-(aminomethyl)-N-[3-(dimethylamino)propyl]-N-ethylpyridine-3-sulfonamide
CID 102992641
N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide (CID 102995889) is 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
The InChIKey is QSNWAXRBTFZVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S/c1-4-17(11-5-10-16(2)3)20(18,19)14-8-6-13(12-15)7-9-14/h6-9H,4-5,10-12H2,1-3H3.
What are the key properties of 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide?
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide has a molecular weight of 363.32 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 102995889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).