2-bromo-N-pentan-2-ylbenzenesulfonamide

C11H16BrNO2S — CID 3753439

IUPAC2-bromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-3-6-9(2)13-16(14,15)11-8-5-4-7-10(11)12/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyFZNUTBICDUABCJ-UHFFFAOYSA-N
MW306.22 g/mol
LogP2.92
Rot. Bonds5

About 2-bromo-N-pentan-2-ylbenzenesulfonamide

2-bromo-N-pentan-2-ylbenzenesulfonamide (PubChem CID 3753439) has the molecular formula C11H16BrNO2S and a molecular weight of 306.22 g/mol. Its IUPAC name is 2-bromo-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-pentan-2-ylbenzenesulfonamide
PubChem CID3753439
Molecular FormulaC11H16BrNO2S
Molecular Weight306.22 g/mol
Exact Mass305.01
IUPAC Name2-bromo-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-3-6-9(2)13-16(14,15)11-8-5-4-7-10(11)12/h4-5,7-9,13H,3,6H2,1-2H3
InChIKeyFZNUTBICDUABCJ-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(2R)-4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 94227411
2-bromo-N-octan-4-ylbenzenesulfonamide
CID 106025735
2-bromo-N-(1-ethylsulfanylpropan-2-yl)benzenesulfonamide
CID 115662781
2-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123856
2-bromo-N-[1-(4-bromophenyl)propan-2-yl]benzenesulfonamide
CID 61073522
5-(aminomethyl)-2-bromo-N-pentan-2-ylbenzenesulfonamide
CID 106046490
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
2-bromo-N-(3,3-dimethylbutan-2-yl)benzenesulfonamide
CID 25043542
2-amino-4-bromo-N-pentan-2-ylbenzenesulfonamide
CID 43258160
3-bromo-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510419
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-pentan-2-ylbenzenesulfonamide (CID 3753439) is 2-bromo-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is FZNUTBICDUABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-3-6-9(2)13-16(14,15)11-8-5-4-7-10(11)12/h4-5,7-9,13H,3,6H2,1-2H3.
What are the key properties of 2-bromo-N-pentan-2-ylbenzenesulfonamide?
2-bromo-N-pentan-2-ylbenzenesulfonamide has a molecular weight of 306.22 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3753439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).