5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide

C11H16BrNO2S — CID 8777819

IUPAC5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H16BrNO2S/c1-8(2)7-13-16(14,15)11-6-10(12)5-4-9(11)3/h4-6,8,13H,7H2,1-3H3
InChIKeyHILHCADRJGOTBQ-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.69
Rot. Bonds4

About 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide

5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 8777819) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
PubChem CID8777819
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Name5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(C)C
InChIInChI=1S/C11H16BrNO2S/c1-8(2)7-13-16(14,15)11-6-10(12)5-4-9(11)3/h4-6,8,13H,7H2,1-3H3
InChIKeyHILHCADRJGOTBQ-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
N-(2-amino-2-methylpropyl)-5-bromo-2-methylbenzenesulfonamide
CID 115303519
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864
3-[[(5-bromo-2-methylphenyl)sulfonylamino]methyl]pentanoic acid
CID 81066818
2-[(5-bromo-2-methylphenyl)sulfonylamino]acetic acid
CID 43240842

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide (CID 8777819) is 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCC(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is HILHCADRJGOTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-8(2)7-13-16(14,15)11-6-10(12)5-4-9(11)3/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide?
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 306.23 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 8777819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).