4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide

C15H25NO2S — CID 86230028

IUPAC4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
SMILESCCCCCC(C)(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2S/c1-5-6-7-12-15(3,4)16-19(17,18)14-10-8-13(2)9-11-14/h8-11,16H,5-7,12H2,1-4H3
InChIKeySKMGBCSRINFXQA-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.63
Rot. Bonds7

About 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide

4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide (PubChem CID 86230028) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
PubChem CID86230028
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
SMILESCCCCCC(C)(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2S/c1-5-6-7-12-15(3,4)16-19(17,18)14-10-8-13(2)9-11-14/h8-11,16H,5-7,12H2,1-4H3
InChIKeySKMGBCSRINFXQA-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
CID 177217634
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
4-methyl-N-[1-[methyl(diphenyl)silyl]-1-phenylheptyl]benzenesulfonamide
CID 164685134
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-hexyl-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 84556988
4-acetyl-N-(2-methylpentan-2-yl)benzenesulfonamide
CID 49460708
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
4-methylbenzenesulfonic acid;2-methylnonadecan-2-amine
CID 173459003
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
N-(5-amino-2-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 165494017
N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide
CID 102402030

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide (CID 86230028) is 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide is CCCCCC(C)(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is SKMGBCSRINFXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-6-7-12-15(3,4)16-19(17,18)14-10-8-13(2)9-11-14/h8-11,16H,5-7,12H2,1-4H3.
What are the key properties of 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide?
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 86230028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).