N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide

C16H28N2O2S — CID 79479965

IUPACN-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)CC(C)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-14(4)13-18(7-3)21(19,20)16-10-8-15(9-11-16)12-17-6-2/h8-11,14,17H,5-7,12-13H2,1-4H3
InChIKeyVMUZHSGPBOFEGA-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.85
Rot. Bonds9

About N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide

N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide (PubChem CID 79479965) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
PubChem CID79479965
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC NameN-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
SMILESCCNCc1ccc(S(=O)(=O)N(CC)CC(C)CC)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-14(4)13-18(7-3)21(19,20)16-10-8-15(9-11-16)12-17-6-2/h8-11,14,17H,5-7,12-13H2,1-4H3
InChIKeyVMUZHSGPBOFEGA-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-(ethylaminomethyl)benzenesulfonamide
CID 28715770
4-[ethyl(2-methylbutyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791690
N-ethyl-5-(ethylaminomethyl)-N-(2-methylbutyl)furan-2-sulfonamide
CID 79470714
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 60823872
4-[[(4-aminophenyl)methylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 171536135
N-ethyl-6-hydrazinyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 79469996
4-(bromomethyl)-N-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 65482594
2-[4-[ethyl(2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 43440509
N-ethyl-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79470283
N-[[4-(2-methylpropylsulfonyl)phenyl]methyl]ethanamine
CID 82550554
2-bromo-N-ethyl-4-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 79472642
4-(ethylaminomethyl)-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 61470642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The IUPAC name of N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide (CID 79479965) is N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide is CCNCc1ccc(S(=O)(=O)N(CC)CC(C)CC)cc1.
What is the InChIKey of N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
The InChIKey is VMUZHSGPBOFEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-14(4)13-18(7-3)21(19,20)16-10-8-15(9-11-16)12-17-6-2/h8-11,14,17H,5-7,12-13H2,1-4H3.
What are the key properties of N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide?
N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(ethylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 79479965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).