N-(1-hexoxyethyl)-4-methylbenzenesulfonamide

C15H25NO3S — CID 122209836

IUPACN-(1-hexoxyethyl)-4-methylbenzenesulfonamide
SMILESCCCCCCOC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-7-12-19-14(3)16-20(17,18)15-10-8-13(2)9-11-15/h8-11,14,16H,4-7,12H2,1-3H3
InChIKeyJQQQYLYFSYMRDS-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.22
Rot. Bonds9

About N-(1-hexoxyethyl)-4-methylbenzenesulfonamide

N-(1-hexoxyethyl)-4-methylbenzenesulfonamide (PubChem CID 122209836) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(1-hexoxyethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hexoxyethyl)-4-methylbenzenesulfonamide
PubChem CID122209836
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-(1-hexoxyethyl)-4-methylbenzenesulfonamide
SMILESCCCCCCOC(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-7-12-19-14(3)16-20(17,18)15-10-8-13(2)9-11-15/h8-11,14,16H,4-7,12H2,1-3H3
InChIKeyJQQQYLYFSYMRDS-UHFFFAOYSA-N
XLogP3.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

butyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 24670806
(2R)-N-hexyl-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 7230015
4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
6-pentoxyheptyl 4-methylbenzenesulfonate
CID 23366377
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
tetradecyl 3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 3751580
tetradecyl (2R,3R)-3-hydroxy-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate
CID 98199461
N-[4-(butylamino)-1-[(4-methylphenyl)sulfonylamino]butyl]-4-methylbenzenesulfonamide
CID 22495516
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115

Frequently Asked Questions

What is the IUPAC name of N-(1-hexoxyethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-hexoxyethyl)-4-methylbenzenesulfonamide (CID 122209836) is N-(1-hexoxyethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-hexoxyethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-hexoxyethyl)-4-methylbenzenesulfonamide is CCCCCCOC(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(1-hexoxyethyl)-4-methylbenzenesulfonamide?
The InChIKey is JQQQYLYFSYMRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-6-7-12-19-14(3)16-20(17,18)15-10-8-13(2)9-11-15/h8-11,14,16H,4-7,12H2,1-3H3.
What are the key properties of N-(1-hexoxyethyl)-4-methylbenzenesulfonamide?
N-(1-hexoxyethyl)-4-methylbenzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hexoxyethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 122209836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).