5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide

C10H14BrNO2S — CID 8777711

IUPAC5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H14BrNO2S/c1-7(2)12-15(13,14)10-6-9(11)5-4-8(10)3/h4-7,12H,1-3H3
InChIKeyZBPUHMFBRNVBBD-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.44
Rot. Bonds3

About 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide

5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 8777711) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID8777711
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C10H14BrNO2S/c1-7(2)12-15(13,14)10-6-9(11)5-4-8(10)3/h4-7,12H,1-3H3
InChIKeyZBPUHMFBRNVBBD-UHFFFAOYSA-N
XLogP2.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(5-bromo-2-methylphenyl)sulfonylamino]propanoic acid
CID 54991350
5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
N-(1-amino-4-methylpentan-2-yl)-5-bromo-2-methylbenzenesulfonamide;hydrochloride
CID 119983067
methyl 3-[(5-bromo-2-methylphenyl)sulfonylamino]butanoate
CID 113219262
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-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
5-bromo-2-methyl-N-(1-phenylpropyl)benzenesulfonamide
CID 63421088
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide (CID 8777711) is 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is ZBPUHMFBRNVBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-7(2)12-15(13,14)10-6-9(11)5-4-8(10)3/h4-7,12H,1-3H3.
What are the key properties of 5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide?
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.44, 3 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-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 8777711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).