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

C17H21NO2S2 — CID 17388107

IUPAC4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H21NO2S2/c1-13(2)12-14-8-10-15(11-9-14)22(19,20)18-16-6-4-5-7-17(16)21-3/h4-11,13,18H,12H2,1-3H3
InChIKeyVVEQTKIJVVXBBX-UHFFFAOYSA-N
MW335.49 g/mol
LogP4.41
Rot. Bonds6

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

4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 17388107) has the molecular formula C17H21NO2S2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
PubChem CID17388107
Molecular FormulaC17H21NO2S2
Molecular Weight335.49 g/mol
Exact Mass335.10
IUPAC Name4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H21NO2S2/c1-13(2)12-14-8-10-15(11-9-14)22(19,20)18-16-6-4-5-7-17(16)21-3/h4-11,13,18H,12H2,1-3H3
InChIKeyVVEQTKIJVVXBBX-UHFFFAOYSA-N
XLogP4.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
4-(2-methylpropyl)-N-(1-phenylethyl)benzenesulfonamide
CID 19680813
N-(2-ethylsulfanylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 28570483
3-amino-4-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61107273
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
4-(2-methylpropyl)-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide
CID 22774577
N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 60534987
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
4-(2-methylpropyl)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 778376

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide (CID 17388107) is 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide is CSc1ccccc1NS(=O)(=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is VVEQTKIJVVXBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S2/c1-13(2)12-14-8-10-15(11-9-14)22(19,20)18-16-6-4-5-7-17(16)21-3/h4-11,13,18H,12H2,1-3H3.
What are the key properties of 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide?
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 335.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 17388107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).