3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 43372033

IUPAC3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CC(C)C)cc(N)c1C
InChIInChI=1S/C14H24N2O2S/c1-9(2)6-11(4)16-19(17,18)13-7-10(3)12(5)14(15)8-13/h7-9,11,16H,6,15H2,1-5H3
InChIKeyXLWXCIVFPDIFMA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.60
Rot. Bonds5

About 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide

3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (PubChem CID 43372033) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
PubChem CID43372033
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)CC(C)C)cc(N)c1C
InChIInChI=1S/C14H24N2O2S/c1-9(2)6-11(4)16-19(17,18)13-7-10(3)12(5)14(15)8-13/h7-9,11,16H,6,15H2,1-5H3
InChIKeyXLWXCIVFPDIFMA-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

3-amino-4,5-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 61471821
3-amino-4,5-dimethyl-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102903371
3-amino-N-(2-hydroxypropyl)-4,5-dimethylbenzenesulfonamide
CID 43498714
4-amino-3-methoxy-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 81437934
3-amino-N-(4-methylpentan-2-yl)-4-nitrobenzenesulfonamide
CID 82847707
4-N-(4-methylpentan-2-yl)benzene-1,4-disulfonamide
CID 43372522
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-4,5-dimethylbenzenesulfonamide
CID 61468769
3-amino-N-(5-hydroxy-4-methylpentyl)-4,5-dimethylbenzenesulfonamide
CID 106152997
3-amino-4,5-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 29037888
3-amino-N-(1-cyclopropylpropan-2-yl)-5-fluoro-4-methylbenzenesulfonamide
CID 116791897
3-amino-4-fluoro-N-heptan-2-yl-5-methylbenzenesulfonamide
CID 115421268
4-fluoro-2,6-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 107326702

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide (CID 43372033) is 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)CC(C)C)cc(N)c1C.
What is the InChIKey of 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is XLWXCIVFPDIFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-9(2)6-11(4)16-19(17,18)13-7-10(3)12(5)14(15)8-13/h7-9,11,16H,6,15H2,1-5H3.
What are the key properties of 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide?
3-amino-4,5-dimethyl-N-(4-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 3-amino-4,5-dimethyl-N-(4-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43372033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).