5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide

C15H25BrN2O3S — CID 3751126

IUPAC5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C15H25BrN2O3S/c1-5-17(6-2)10-11-18(7-3)22(19,20)15-12-13(16)8-9-14(15)21-4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyOJRHPOMUHULNGK-UHFFFAOYSA-N
MW393.35 g/mol
LogP2.81
Rot. Bonds9

About 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide

5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide (PubChem CID 3751126) has the molecular formula C15H25BrN2O3S and a molecular weight of 393.35 g/mol. Its IUPAC name is 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
PubChem CID3751126
Molecular FormulaC15H25BrN2O3S
Molecular Weight393.35 g/mol
Exact Mass392.08
IUPAC Name5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
SMILESCCN(CC)CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C15H25BrN2O3S/c1-5-17(6-2)10-11-18(7-3)22(19,20)15-12-13(16)8-9-14(15)21-4/h8-9,12H,5-7,10-11H2,1-4H3
InChIKeyOJRHPOMUHULNGK-UHFFFAOYSA-N
XLogP2.81
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
CID 79470791
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115754627
5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
CID 54922238
5-bromo-N-(1-cyanoethyl)-N-ethyl-2-methoxybenzenesulfonamide
CID 167978214
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 120584229
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
2-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 61444697
5-bromo-N,N-diethyl-2-fluorobenzenesulfonamide
CID 110760985
2-[ethyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetate
CID 2234317
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide (CID 3751126) is 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide is CCN(CC)CCN(CC)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide?
The InChIKey is OJRHPOMUHULNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O3S/c1-5-17(6-2)10-11-18(7-3)22(19,20)15-12-13(16)8-9-14(15)21-4/h8-9,12H,5-7,10-11H2,1-4H3.
What are the key properties of 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide?
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide has a molecular weight of 393.35 g/mol, XLogP of 2.81, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide is sourced from PubChem (CID 3751126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).