4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide

C16H25NO2S — CID 177217634

IUPAC4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
SMILESC=CCCCCC(C)(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-5-6-7-8-13-16(3,4)17-20(18,19)15-11-9-14(2)10-12-15/h5,9-12,17H,1,6-8,13H2,2-4H3
InChIKeyBFDQFGAUGYXCRO-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.80
Rot. Bonds8

About 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide

4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide (PubChem CID 177217634) has the molecular formula C16H25NO2S and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
PubChem CID177217634
Molecular FormulaC16H25NO2S
Molecular Weight295.45 g/mol
Exact Mass295.16
IUPAC Name4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide
SMILESC=CCCCCC(C)(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H25NO2S/c1-5-6-7-8-13-16(3,4)17-20(18,19)15-11-9-14(2)10-12-15/h5,9-12,17H,1,6-8,13H2,2-4H3
InChIKeyBFDQFGAUGYXCRO-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
N-(6-cyclohexylidene-2-methylhex-5-en-2-yl)-4-methylbenzenesulfonamide
CID 102402030
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
N-[(2S)-hex-5-en-2-yl]-4-methylbenzenesulfonamide
CID 102308151
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
4-methyl-N-[(5R)-non-1-en-5-yl]benzenesulfonamide
CID 42632338
N-(2-cyanobutan-2-yl)-4-methylbenzenesulfonamide
CID 61122906
N-[2,2-bis(prop-2-enyl)pent-4-enyl]-4-methylbenzenesulfonamide
CID 156694376
N-(5-amino-2-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 165494017

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide (CID 177217634) is 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide is C=CCCCCC(C)(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide?
The InChIKey is BFDQFGAUGYXCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2S/c1-5-6-7-8-13-16(3,4)17-20(18,19)15-11-9-14(2)10-12-15/h5,9-12,17H,1,6-8,13H2,2-4H3.
What are the key properties of 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide?
4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide has a molecular weight of 295.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methyloct-7-en-2-yl)benzenesulfonamide is sourced from PubChem (CID 177217634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).