4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide

C14H22BrNO4S — CID 65481019

IUPAC4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H22BrNO4S/c1-19-10-3-8-16(9-11-20-2)21(17,18)14-6-4-13(12-15)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyUOZRDHXWFVYWDR-UHFFFAOYSA-N
MW380.30 g/mol
LogP2.26
Rot. Bonds10

About 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide

4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 65481019) has the molecular formula C14H22BrNO4S and a molecular weight of 380.30 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID65481019
Molecular FormulaC14H22BrNO4S
Molecular Weight380.30 g/mol
Exact Mass379.05
IUPAC Name4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
SMILESCOCCCN(CCOC)S(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H22BrNO4S/c1-19-10-3-8-16(9-11-20-2)21(17,18)14-6-4-13(12-15)5-7-14/h4-7H,3,8-12H2,1-2H3
InChIKeyUOZRDHXWFVYWDR-UHFFFAOYSA-N
XLogP2.26
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217
4-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113317285
4-(bromomethyl)-N-(2-ethoxyethyl)-N-ethylbenzenesulfonamide
CID 65481240
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridine-3-sulfonamide
CID 114613324
3-amino-4-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61126076
4-(bromomethyl)-N-[3-(dimethylamino)propyl]-N-ethylbenzenesulfonamide
CID 102995889
N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-(methylamino)pyridine-3-sulfonamide
CID 62159352
N,N-dibenzyl-4-[[bis(2-methoxyethyl)amino]methyl]benzenesulfonamide
CID 25072280
4-(bromomethyl)-N,N-bis(2-cyanoethyl)benzenesulfonamide
CID 65479793
3-cyano-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61060489
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
2-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide
CID 61125699

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide (CID 65481019) is 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide is COCCCN(CCOC)S(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is UOZRDHXWFVYWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO4S/c1-19-10-3-8-16(9-11-20-2)21(17,18)14-6-4-13(12-15)5-7-14/h4-7H,3,8-12H2,1-2H3.
What are the key properties of 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide?
4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 380.30 g/mol, XLogP of 2.26, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 65481019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).