3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide

C14H24N2O2S — CID 115324605

IUPAC3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCC(C)C)cc1N
InChIInChI=1S/C14H24N2O2S/c1-11(2)6-4-5-9-16-19(17,18)13-8-7-12(3)14(15)10-13/h7-8,10-11,16H,4-6,9,15H2,1-3H3
InChIKeyQPYDENHNTHTKOA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.68
Rot. Bonds7

About 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide

3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide (PubChem CID 115324605) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
PubChem CID115324605
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCCC(C)C)cc1N
InChIInChI=1S/C14H24N2O2S/c1-11(2)6-4-5-9-16-19(17,18)13-8-7-12(3)14(15)10-13/h7-8,10-11,16H,4-6,9,15H2,1-3H3
InChIKeyQPYDENHNTHTKOA-UHFFFAOYSA-N
XLogP2.68
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
3-amino-4-methyl-N-pent-4-ynylbenzenesulfonamide
CID 114159874
5-amino-2-chloro-4-methyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324554
4-amino-2,6-dimethyl-N-(5-methylhexyl)benzenesulfonamide
CID 115324523
3-(aminomethyl)-4-fluoro-N-(5-methylhexyl)benzenesulfonamide
CID 115325164
3-amino-4-methyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 61106956
3-bromo-4-chloro-N-(7-methyloctyl)benzenesulfonamide
CID 106612008
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
3-amino-2-methyl-N-(7-methyloctyl)benzenesulfonamide
CID 107814631

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide (CID 115324605) is 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCCC(C)C)cc1N.
What is the InChIKey of 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide?
The InChIKey is QPYDENHNTHTKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11(2)6-4-5-9-16-19(17,18)13-8-7-12(3)14(15)10-13/h7-8,10-11,16H,4-6,9,15H2,1-3H3.
What are the key properties of 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide?
3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-N-(5-methylhexyl)benzenesulfonamide is sourced from PubChem (CID 115324605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).