5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide

C14H22BrNO3S — CID 79470791

IUPAC5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO3S/c1-5-11(3)10-16(6-2)20(17,18)14-9-12(15)7-8-13(14)19-4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyHPHXECPYNWYWPL-UHFFFAOYSA-N
MW364.31 g/mol
LogP3.51
Rot. Bonds7

About 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide

5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79470791) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79470791
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C14H22BrNO3S/c1-5-11(3)10-16(6-2)20(17,18)14-9-12(15)7-8-13(14)19-4/h7-9,11H,5-6,10H2,1-4H3
InChIKeyHPHXECPYNWYWPL-UHFFFAOYSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
5-bromo-2-methoxy-N-propan-2-yl-N-propylbenzenesulfonamide
CID 54922238
5-bromo-N-(1-cyanoethyl)-N-ethyl-2-methoxybenzenesulfonamide
CID 167978214
5-bromo-2-methoxy-N-propan-2-yl-N-prop-2-enylbenzenesulfonamide
CID 61059880
2-[(5-bromo-2-methoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829123
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
CID 79470111
N-[(5-bromo-2-methoxyphenyl)methyl]-N,2-dimethylbutan-1-amine
CID 54971591
5-bromo-2-methoxy-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 113356114
5-bromo-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzenesulfonamide
CID 15590963
5-amino-N-ethyl-2-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 79973709
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide (CID 79470791) is 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is HPHXECPYNWYWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-5-11(3)10-16(6-2)20(17,18)14-9-12(15)7-8-13(14)19-4/h7-9,11H,5-6,10H2,1-4H3.
What are the key properties of 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide?
5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 364.31 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79470791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).