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

C15H26N2O2S — CID 106053747

IUPAC2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC(C)C(C)CC
InChIInChI=1S/C15H26N2O2S/c1-5-12(3)13(4)17-20(18,19)15-10-8-7-9-14(15)11-16-6-2/h7-10,12-13,16-17H,5-6,11H2,1-4H3
InChIKeyNALVKLIZEVCMMM-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.51
Rot. Bonds8

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

2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106053747) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID106053747
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC(C)C(C)CC
InChIInChI=1S/C15H26N2O2S/c1-5-12(3)13(4)17-20(18,19)15-10-8-7-9-14(15)11-16-6-2/h7-10,12-13,16-17H,5-6,11H2,1-4H3
InChIKeyNALVKLIZEVCMMM-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

2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 106067499
N-(3-ethylpentan-2-yl)-2-(methylaminomethyl)benzenesulfonamide
CID 106063357
N-pentan-3-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106031977
2-chloro-N-(3-methylpentan-2-yl)pyridine-3-sulfonamide
CID 54950252
N-(2-ethoxyethyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106019677
N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106054391
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
2-(ethylamino)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 63838250
N-(4-bromophenyl)-2-(ethylaminomethyl)benzenesulfonamide
CID 106061384
4-hydroxy-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54955559
2-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 114142081

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 106053747) is 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NC(C)C(C)CC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is NALVKLIZEVCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-5-12(3)13(4)17-20(18,19)15-10-8-7-9-14(15)11-16-6-2/h7-10,12-13,16-17H,5-6,11H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(3-methylpentan-2-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 2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).