N-methyl-4-(2-methylpropyl)benzenesulfonamide

C11H17NO2S — CID 19684296

IUPACN-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C11H17NO2S/c1-9(2)8-10-4-6-11(7-5-10)15(13,14)12-3/h4-7,9,12H,8H2,1-3H3
InChIKeyYEYBNUFJLYSBPZ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-4-(2-methylpropyl)benzenesulfonamide

N-methyl-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 19684296) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-methyl-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylpropyl)benzenesulfonamide
PubChem CID19684296
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-methyl-4-(2-methylpropyl)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C11H17NO2S/c1-9(2)8-10-4-6-11(7-5-10)15(13,14)12-3/h4-7,9,12H,8H2,1-3H3
InChIKeyYEYBNUFJLYSBPZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide
CID 43605984
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
N-[3-(methylamino)propyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 119965037
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577
N-[(2-methylpropan-2-yl)oxy]-4-(2-methylpropyl)benzenesulfonamide
CID 82723408
N-[(1R)-1-cyanoethyl]-4-(2-methylpropyl)benzenesulfonamide
CID 97243583
4-(2-methylpropyl)-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683354
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-methylpropyl)benzenesulfonamide (CID 19684296) is N-methyl-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-methylpropyl)benzenesulfonamide is CNS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-methyl-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is YEYBNUFJLYSBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-9(2)8-10-4-6-11(7-5-10)15(13,14)12-3/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-methyl-4-(2-methylpropyl)benzenesulfonamide?
N-methyl-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 19684296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).