4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide

C15H26N2O2S — CID 61470642

IUPAC4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(CC)C(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-15(12(3)4)17-20(18,19)14-9-7-13(8-10-14)11-16-6-2/h7-10,12,15-17H,5-6,11H2,1-4H3
InChIKeyQMDMFQHLCLFLSV-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.51
Rot. Bonds8

About 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide

4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide (PubChem CID 61470642) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
PubChem CID61470642
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)NC(CC)C(C)C)cc1
InChIInChI=1S/C15H26N2O2S/c1-5-15(12(3)4)17-20(18,19)14-9-7-13(8-10-14)11-16-6-2/h7-10,12,15-17H,5-6,11H2,1-4H3
InChIKeyQMDMFQHLCLFLSV-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
4-[3-(methylamino)propyl]-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018766
5-(ethylaminomethyl)-N-(2-methylpentan-3-yl)thiophene-3-sulfonamide
CID 106018941
4-cyano-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 47392283
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 73191893
4-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 28715741
4-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 60823404
4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 106032195
4-methyl-N-[(2R,3S)-2-methyl-1-oxopentan-3-yl]benzenesulfonamide
CID 102085271

Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
The IUPAC name of 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide (CID 61470642) is 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)NC(CC)C(C)C)cc1.
What is the InChIKey of 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
The InChIKey is QMDMFQHLCLFLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-15(12(3)4)17-20(18,19)14-9-7-13(8-10-14)11-16-6-2/h7-10,12,15-17H,5-6,11H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide?
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide is sourced from PubChem (CID 61470642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).