N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

C14H23FN2O2S — CID 107328336

IUPACN-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H23FN2O2S/c1-5-14(16,6-2)9-17-20(18,19)13-10(3)7-12(15)8-11(13)4/h7-8,17H,5-6,9,16H2,1-4H3
InChIKeySCJADMQLJNHUPA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.24
Rot. Bonds6

About N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide

N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 107328336) has the molecular formula C14H23FN2O2S and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID107328336
Molecular FormulaC14H23FN2O2S
Molecular Weight302.42 g/mol
Exact Mass302.15
IUPAC NameN-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCC(N)(CC)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H23FN2O2S/c1-5-14(16,6-2)9-17-20(18,19)13-10(3)7-12(15)8-11(13)4/h7-8,17H,5-6,9,16H2,1-4H3
InChIKeySCJADMQLJNHUPA-UHFFFAOYSA-N
XLogP2.24
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-2-ethylbutyl)-4-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 119990013
4-fluoro-2,6-dimethyl-N-(3-methylpentan-3-yl)benzenesulfonamide
CID 106328497
N-(2-amino-2-ethylbutyl)-3-fluoro-4-methylbenzenesulfonamide;hydrochloride
CID 119989684
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-(2-amino-2-ethylbutyl)-2-fluoro-4-methylbenzenesulfonamide
CID 119989897
N-[(1-aminocyclobutyl)methyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328370
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]acetic acid
CID 107326194
N-[2-(diethylamino)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326452
N-(3,3-dimethyl-2-oxobutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327684
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
4-amino-N-(2-hydroxy-2-methylbutyl)-2,6-dimethylbenzenesulfonamide
CID 79588525

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 107328336) is N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide is CCC(N)(CC)CNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is SCJADMQLJNHUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2S/c1-5-14(16,6-2)9-17-20(18,19)13-10(3)7-12(15)8-11(13)4/h7-8,17H,5-6,9,16H2,1-4H3.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 302.42 g/mol, XLogP of 2.24, 6 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)-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107328336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).