4-methyl-N-octan-3-ylbenzenesulfonamide

C15H25NO2S — CID 11822147

IUPAC4-methyl-N-octan-3-ylbenzenesulfonamide
SMILESCCCCCC(CC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2S/c1-4-6-7-8-14(5-2)16-19(17,18)15-11-9-13(3)10-12-15/h9-12,14,16H,4-8H2,1-3H3
InChIKeyIPVUDTJGOZVZNT-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.63
Rot. Bonds8

About 4-methyl-N-octan-3-ylbenzenesulfonamide

4-methyl-N-octan-3-ylbenzenesulfonamide (PubChem CID 11822147) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-methyl-N-octan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-octan-3-ylbenzenesulfonamide
PubChem CID11822147
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-methyl-N-octan-3-ylbenzenesulfonamide
SMILESCCCCCC(CC)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO2S/c1-4-6-7-8-14(5-2)16-19(17,18)15-11-9-13(3)10-12-15/h9-12,14,16H,4-8H2,1-3H3
InChIKeyIPVUDTJGOZVZNT-UHFFFAOYSA-N
XLogP3.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
CID 11750792
2-[(4-methylphenyl)sulfonylamino]hexyl thiocyanate
CID 86074061
N-nonan-4-ylbenzenesulfonamide
CID 174769116
N-[4-(butylamino)-1-[(4-methylphenyl)sulfonylamino]butyl]-4-methylbenzenesulfonamide
CID 22495516

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-octan-3-ylbenzenesulfonamide?
The IUPAC name of 4-methyl-N-octan-3-ylbenzenesulfonamide (CID 11822147) is 4-methyl-N-octan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-methyl-N-octan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-methyl-N-octan-3-ylbenzenesulfonamide is CCCCCC(CC)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-octan-3-ylbenzenesulfonamide?
The InChIKey is IPVUDTJGOZVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-6-7-8-14(5-2)16-19(17,18)15-11-9-13(3)10-12-15/h9-12,14,16H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-octan-3-ylbenzenesulfonamide?
4-methyl-N-octan-3-ylbenzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-octan-3-ylbenzenesulfonamide is sourced from PubChem (CID 11822147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).