N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide

C14H24N2O2S — CID 106141546

IUPACN-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)CCN)c(C)c1
InChIInChI=1S/C14H24N2O2S/c1-11-5-6-13(12(2)9-11)19(17,18)16-10-14(3,4)7-8-15/h5-6,9,16H,7-8,10,15H2,1-4H3
InChIKeyYHYWSUUGYNEERS-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.96
Rot. Bonds6

About N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide

N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 106141546) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
PubChem CID106141546
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C)(C)CCN)c(C)c1
InChIInChI=1S/C14H24N2O2S/c1-11-5-6-13(12(2)9-11)19(17,18)16-10-14(3,4)7-8-15/h5-6,9,16H,7-8,10,15H2,1-4H3
InChIKeyYHYWSUUGYNEERS-UHFFFAOYSA-N
XLogP1.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,4-dimethylphenyl)sulfonylamino]-2,2-dimethylpropanoic acid
CID 115427434
N-(3-amino-2-methylpropyl)-2,4-dimethylbenzenesulfonamide
CID 62668350
N-(2-hydroxy-2-methylbutyl)-2,4-dimethylbenzenesulfonamide
CID 65113169
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
N-(5-amino-2,2-dimethylpentyl)-3-methylbenzenesulfonamide
CID 106141735
N-(5-amino-2,2-dimethylpentyl)-5-fluoro-2-methylbenzenesulfonamide
CID 106141876
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2,4-dimethylbenzenesulfonamide
CID 110291429
N-(3-chloro-2,2-dimethylpropyl)-2,5-dimethylbenzenesulfonamide
CID 113295115
2,4-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 19681800
N-(2-amino-2-methylpropyl)-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 119988451
2-bromo-N-(2,2-dimethylbutyl)-4-methylbenzenesulfonamide
CID 103463984
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide (CID 106141546) is N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C)(C)CCN)c(C)c1.
What is the InChIKey of N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is YHYWSUUGYNEERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-11-5-6-13(12(2)9-11)19(17,18)16-10-14(3,4)7-8-15/h5-6,9,16H,7-8,10,15H2,1-4H3.
What are the key properties of N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide?
N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,2-dimethylbutyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 106141546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).