2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide

C15H25BrN2O2S — CID 79472642

IUPAC2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccc(CNC)cc1Br
InChIInChI=1S/C15H25BrN2O2S/c1-5-12(3)11-18(6-2)21(19,20)15-8-7-13(10-17-4)9-14(15)16/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyOTYQYZWOSGHUME-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.23
Rot. Bonds8

About 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide

2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79472642) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79472642
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC Name2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1ccc(CNC)cc1Br
InChIInChI=1S/C15H25BrN2O2S/c1-5-12(3)11-18(6-2)21(19,20)15-8-7-13(10-17-4)9-14(15)16/h7-9,12,17H,5-6,10-11H2,1-4H3
InChIKeyOTYQYZWOSGHUME-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283
N-ethyl-4-methyl-5-(methylaminomethyl)-N-(2-methylbutyl)thiophene-2-sulfonamide
CID 79470903
2,4-dibromo-N-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 54922280
N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79479965
2-bromo-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)furan-3-sulfonamide
CID 79470111
5-bromo-N-ethyl-2-methoxy-N-(2-methylbutyl)benzenesulfonamide
CID 79470791
2-bromo-4-(methylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058201
N-benzyl-2-bromo-4-[(cyclopropylamino)methyl]-N-ethylbenzenesulfonamide
CID 113241829
2-fluoro-N-methyl-4-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 79187326
3-amino-N-ethyl-2,5-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79889083
3-bromo-N-butan-2-yl-N-ethyl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81481214
5-(aminomethyl)-N-ethyl-2,4-dimethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79471703

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide (CID 79472642) is 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CN(CC)S(=O)(=O)c1ccc(CNC)cc1Br.
What is the InChIKey of 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is OTYQYZWOSGHUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-5-12(3)11-18(6-2)21(19,20)15-8-7-13(10-17-4)9-14(15)16/h7-9,12,17H,5-6,10-11H2,1-4H3.
What are the key properties of 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 377.35 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79472642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).