N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide

C14H24N2O2S — CID 119990108

IUPACN-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NCC(N)(CC)CC)c1
InChIInChI=1S/C14H24N2O2S/c1-4-12-8-7-9-13(10-12)19(17,18)16-11-14(15,5-2)6-3/h7-10,16H,4-6,11,15H2,1-3H3
InChIKeyNBOAISISUHSPQA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.04
Rot. Bonds7

About N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide

N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide (PubChem CID 119990108) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
PubChem CID119990108
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide
SMILESCCc1cccc(S(=O)(=O)NCC(N)(CC)CC)c1
InChIInChI=1S/C14H24N2O2S/c1-4-12-8-7-9-13(10-12)19(17,18)16-11-14(15,5-2)6-3/h7-10,16H,4-6,11,15H2,1-3H3
InChIKeyNBOAISISUHSPQA-UHFFFAOYSA-N
XLogP2.04
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119990005
N-(2-amino-2-ethylbutyl)-3-cyanobenzenesulfonamide
CID 99627369
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-(aminomethyl)-N-(2,2-dimethylbutyl)benzenesulfonamide
CID 103461066
N-(2-amino-2-methylpropyl)-3-(methoxymethyl)benzenesulfonamide
CID 99819230
N-(4-aminobutyl)-3-ethylbenzenesulfonamide;hydrochloride
CID 120583777
methyl 5-[(2-amino-2-ethylbutyl)sulfamoyl]-2-methoxybenzoate
CID 119989908
N-(2-amino-2-ethylbutyl)-4-(methylsulfonylmethyl)benzenesulfonamide
CID 119990095
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
N-(2-amino-2-ethylbutyl)-1-(3-methylphenyl)methanesulfonamide
CID 119989766
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide (CID 119990108) is N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide is CCc1cccc(S(=O)(=O)NCC(N)(CC)CC)c1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide?
The InChIKey is NBOAISISUHSPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-12-8-7-9-13(10-12)19(17,18)16-11-14(15,5-2)6-3/h7-10,16H,4-6,11,15H2,1-3H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide?
N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3-ethylbenzenesulfonamide is sourced from PubChem (CID 119990108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).