N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide

C25H38N2O2S — CID 11750792

IUPACN-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
SMILESCCCCCCCCC(CN(CC)c1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H38N2O2S/c1-4-6-7-8-9-11-14-23(21-27(5-2)24-15-12-10-13-16-24)26-30(28,29)25-19-17-22(3)18-20-25/h10,12-13,15-20,23,26H,4-9,11,14,21H2,1-3H3
InChIKeyGIOVBMQDIDJIGS-UHFFFAOYSA-N
MW430.66 g/mol
LogP5.92
Rot. Bonds14

About N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide

N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 11750792) has the molecular formula C25H38N2O2S and a molecular weight of 430.66 g/mol. Its IUPAC name is N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
PubChem CID11750792
Molecular FormulaC25H38N2O2S
Molecular Weight430.66 g/mol
Exact Mass430.27
IUPAC NameN-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide
SMILESCCCCCCCCC(CN(CC)c1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H38N2O2S/c1-4-6-7-8-9-11-14-23(21-27(5-2)24-15-12-10-13-16-24)26-30(28,29)25-19-17-22(3)18-20-25/h10,12-13,15-20,23,26H,4-9,11,14,21H2,1-3H3
InChIKeyGIOVBMQDIDJIGS-UHFFFAOYSA-N
XLogP5.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.66
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-octan-3-ylbenzenesulfonamide
CID 11822147
N-(1-chlorononan-2-yl)-4-methylbenzenesulfonamide
CID 25268981
4-methyl-N-undec-1-yn-4-ylbenzenesulfonamide
CID 78142014
4-methyl-N-[(2R)-2-[(4-methylphenyl)sulfonylamino]octyl]benzenesulfonamide
CID 101389381
ethyl (3R)-3-[(4-methylphenyl)sulfonylamino]decanoate
CID 11372115
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
N-nonan-4-ylbenzenesulfonamide
CID 174769116
N-(1-iodohexan-2-yl)-4-methylbenzenesulfonamide
CID 11245994
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119992961
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-methyl-N-(3-methyl-1-phenylnonan-4-yl)benzenesulfonamide
CID 171485855
1-N-ethyl-2-N-methyl-1-N-phenylpentane-1,2-diamine
CID 62044666

Frequently Asked Questions

What is the IUPAC name of N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide (CID 11750792) is N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide is CCCCCCCCC(CN(CC)c1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is GIOVBMQDIDJIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2S/c1-4-6-7-8-9-11-14-23(21-27(5-2)24-15-12-10-13-16-24)26-30(28,29)25-19-17-22(3)18-20-25/h10,12-13,15-20,23,26H,4-9,11,14,21H2,1-3H3.
What are the key properties of N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 430.66 g/mol, XLogP of 5.92, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(N-ethylanilino)decan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11750792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).