4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide

C14H24N2O2S — CID 63002794

IUPAC4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCCC(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-15-13-7-9-14(10-8-13)19(17,18)16-11-5-6-12(2)3/h7-10,12,15-16H,4-6,11H2,1-3H3
InChIKeyHVDNMNLLZRJKTE-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.83
Rot. Bonds8

About 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide

4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide (PubChem CID 63002794) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
PubChem CID63002794
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCCC(C)C)cc1
InChIInChI=1S/C14H24N2O2S/c1-4-15-13-7-9-14(10-8-13)19(17,18)16-11-5-6-12(2)3/h7-10,12,15-16H,4-6,11H2,1-3H3
InChIKeyHVDNMNLLZRJKTE-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-(2-methylpropyl)benzenesulfonamide
CID 62149672
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
CID 63004765
4-(ethylamino)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907908
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
4-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 62640211
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63004010
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
4-(ethylamino)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 62143037
N,N-dimethyl-4-(4-methylpentylamino)benzenesulfonamide
CID 54913685

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide?
The IUPAC name of 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide (CID 63002794) is 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide is CCNc1ccc(S(=O)(=O)NCCCC(C)C)cc1.
What is the InChIKey of 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide?
The InChIKey is HVDNMNLLZRJKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-15-13-7-9-14(10-8-13)19(17,18)16-11-5-6-12(2)3/h7-10,12,15-16H,4-6,11H2,1-3H3.
What are the key properties of 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide?
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 63002794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).