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

C14H24N2O3S — CID 106067499

IUPAC2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C14H24N2O3S/c1-4-15-11-13-7-5-6-8-14(13)20(17,18)16-12(2)9-10-19-3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyRBWRRBOSKGTRSF-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.50
Rot. Bonds9

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

2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide (PubChem CID 106067499) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
PubChem CID106067499
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NC(C)CCOC
InChIInChI=1S/C14H24N2O3S/c1-4-15-11-13-7-5-6-8-14(13)20(17,18)16-12(2)9-10-19-3/h5-8,12,15-16H,4,9-11H2,1-3H3
InChIKeyRBWRRBOSKGTRSF-UHFFFAOYSA-N
XLogP1.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylaminomethyl)-N-(4-methylhexan-2-yl)benzenesulfonamide
CID 106066744
2-(ethylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053747
N-(4-methoxybutan-2-yl)-2-(methylamino)benzenesulfonamide
CID 64603296
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
2-hydrazinyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605089
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
2-(3-aminoprop-1-ynyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64605123
5-amino-2-ethyl-N-(4-methoxybutan-2-yl)benzenesulfonamide
CID 64602405
2-(methylaminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 106008883
N-(4-methoxybutan-2-yl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 114141493
N-(1-ethoxypropan-2-yl)-2-(propylaminomethyl)benzenesulfonamide
CID 106054391
5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106067439

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide (CID 106067499) is 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NC(C)CCOC.
What is the InChIKey of 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide?
The InChIKey is RBWRRBOSKGTRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-15-11-13-7-5-6-8-14(13)20(17,18)16-12(2)9-10-19-3/h5-8,12,15-16H,4,9-11H2,1-3H3.
What are the key properties of 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106067499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).