5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 61463662

IUPAC5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H24N2O2S/c1-6-9(2)12(5)16-19(17,18)14-8-13(15)7-10(3)11(14)4/h7-9,12,16H,6,15H2,1-5H3
InChIKeyWCIYYAIQLPPTOT-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.60
Rot. Bonds5

About 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide

5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 61463662) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID61463662
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(N)cc(C)c1C
InChIInChI=1S/C14H24N2O2S/c1-6-9(2)12(5)16-19(17,18)14-8-13(15)7-10(3)11(14)4/h7-9,12,16H,6,15H2,1-5H3
InChIKeyWCIYYAIQLPPTOT-UHFFFAOYSA-N
XLogP2.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2,3-dimethylbenzenesulfonamide
CID 93081202
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
5-amino-2-bromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 65206923
4-amino-2,6-dibromo-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61463460
5-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dimethylbenzenesulfonamide
CID 106348013
5-amino-N-(2-hydroxypropyl)-2,3-dimethylbenzenesulfonamide
CID 43498713
2-amino-N-(3-ethylpentan-2-yl)-4,5-dimethylbenzenesulfonamide
CID 63842393
5-amino-N-(3-methylpentan-2-yl)-1H-pyrazole-4-sulfonamide
CID 61463527
3-amino-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54950145
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
2,4-dimethyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053867
5-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61105109

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 61463662) is 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1cc(N)cc(C)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is WCIYYAIQLPPTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-9(2)12(5)16-19(17,18)14-8-13(15)7-10(3)11(14)4/h7-9,12,16H,6,15H2,1-5H3.
What are the key properties of 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide?
5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61463662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).