2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide

C16H28N2O2S — CID 106066744

IUPAC2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC(C)CC(C)CC
InChIInChI=1S/C16H28N2O2S/c1-5-13(3)11-14(4)18-21(19,20)16-10-8-7-9-15(16)12-17-6-2/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3
InChIKeyLYVWQQZUIJMYOB-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.90
Rot. Bonds9

About 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide

2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide (PubChem CID 106066744) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
PubChem CID106066744
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC(C)CC(C)CC
InChIInChI=1S/C16H28N2O2S/c1-5-13(3)11-14(4)18-21(19,20)16-10-8-7-9-15(16)12-17-6-2/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3
InChIKeyLYVWQQZUIJMYOB-UHFFFAOYSA-N
XLogP2.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide (CID 106066744) is 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NC(C)CC(C)CC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide?
The InChIKey is LYVWQQZUIJMYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-13(3)11-14(4)18-21(19,20)16-10-8-7-9-15(16)12-17-6-2/h7-10,13-14,17-18H,5-6,11-12H2,1-4H3.
What are the key properties of 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106066744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).