4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide

C11H16BrNO3S — CID 850059

IUPAC4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C11H16BrNO3S/c1-4-13(5-2)17(14,15)9-6-7-10(12)11(8-9)16-3/h6-8H,4-5H2,1-3H3
InChIKeyRYCWDPIVJMHLSJ-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.49
Rot. Bonds5

About 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide

4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide (PubChem CID 850059) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
PubChem CID850059
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1
InChIInChI=1S/C11H16BrNO3S/c1-4-13(5-2)17(14,15)9-6-7-10(12)11(8-9)16-3/h6-8H,4-5H2,1-3H3
InChIKeyRYCWDPIVJMHLSJ-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-bromo-N-ethyl-3-methoxybenzenesulfonamide
CID 9267358
N,N-diethyl-4-methoxy-3-(methylamino)benzenesulfonamide
CID 35582178
3-bromo-N-ethyl-4-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60656239
2-bromo-5-(diethylsulfamoyl)benzoate
CID 3668554
N-(2-cyanoethyl)-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 39419244
3-bromo-N-[4-(diethylsulfamoyl)phenyl]-4-methoxybenzamide
CID 1011816
4-bromo-N,N-bis(2-hydroxyethyl)-3-propoxybenzenesulfonamide
CID 50876357
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
4-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzenesulfonamide
CID 81438560
N-ethyl-3,4-dimethoxy-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 3785219
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81438555
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,4-dimethoxybenzenesulfonamide
CID 9301957

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide?
The IUPAC name of 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide (CID 850059) is 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide?
The InChIKey is RYCWDPIVJMHLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-4-13(5-2)17(14,15)9-6-7-10(12)11(8-9)16-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide?
4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-diethyl-3-methoxybenzenesulfonamide is sourced from PubChem (CID 850059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).