2-bromo-N-(2-methylbutyl)benzenesulfonamide

C11H16BrNO2S — CID 3614286

IUPAC2-bromo-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-3-9(2)8-13-16(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyFCIGGBJLKDALRI-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.77
Rot. Bonds5

About 2-bromo-N-(2-methylbutyl)benzenesulfonamide

2-bromo-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 3614286) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is 2-bromo-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-methylbutyl)benzenesulfonamide
PubChem CID3614286
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name2-bromo-N-(2-methylbutyl)benzenesulfonamide
SMILESCCC(C)CNS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-3-9(2)8-13-16(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3
InChIKeyFCIGGBJLKDALRI-UHFFFAOYSA-N
XLogP2.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
2-amino-N-(2-methylbutyl)benzenesulfonamide
CID 62699266
2-amino-4-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 62700584
5-amino-4-bromo-2-methyl-N-(2-methylbutyl)benzenesulfonamide
CID 114625611
2-bromo-N-(3-bromo-2,2-dimethylpropyl)benzenesulfonamide
CID 115365251
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-bromo-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158915
8-chloro-N-(2-methylbutyl)naphthalene-1-sulfonamide
CID 25036817
2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 3753439
2-bromo-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716607
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-methylbutyl)benzenesulfonamide (CID 3614286) is 2-bromo-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-methylbutyl)benzenesulfonamide is CCC(C)CNS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is FCIGGBJLKDALRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-9(2)8-13-16(14,15)11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3.
What are the key properties of 2-bromo-N-(2-methylbutyl)benzenesulfonamide?
2-bromo-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 306.22 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 3614286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).