5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide

C13H18BrNO2S — CID 113226818

IUPAC5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C13H18BrNO2S/c1-9-3-6-12(14)7-13(9)18(16,17)15-8-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyYORLUDIAKPPKCI-UHFFFAOYSA-N
MW332.26 g/mol
LogP3.08
Rot. Bonds5

About 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide

5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide (PubChem CID 113226818) has the molecular formula C13H18BrNO2S and a molecular weight of 332.26 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
PubChem CID113226818
Molecular FormulaC13H18BrNO2S
Molecular Weight332.26 g/mol
Exact Mass331.02
IUPAC Name5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C13H18BrNO2S/c1-9-3-6-12(14)7-13(9)18(16,17)15-8-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3
InChIKeyYORLUDIAKPPKCI-UHFFFAOYSA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.26
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 8777819
5-bromo-N-(2-methoxypropyl)-2-methylbenzenesulfonamide
CID 102697631
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 83029794
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-amino-4-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 114626150
5-bromo-2-methyl-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824478
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120665143
2-bromo-N-(2-cyclopropylpropyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363295
5-bromo-2-methyl-N-(3-propan-2-yloxypropyl)benzenesulfonamide
CID 33143864
5-bromo-2-methyl-N-propan-2-ylbenzenesulfonamide
CID 8777711
5-(2-cyclopropylpropylsulfamoyl)-2-methylbenzoic acid
CID 115591314
2,5-dibromo-N-(2-bromo-2-cyclopropylethyl)benzenesulfonamide
CID 114294646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide (CID 113226818) is 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)NCC(C)C1CC1.
What is the InChIKey of 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
The InChIKey is YORLUDIAKPPKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S/c1-9-3-6-12(14)7-13(9)18(16,17)15-8-10(2)11-4-5-11/h3,6-7,10-11,15H,4-5,8H2,1-2H3.
What are the key properties of 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide?
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide has a molecular weight of 332.26 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 113226818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).