5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide

C14H24N2O2S — CID 43576401

IUPAC5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-10(2)5-7-12(4)16-19(17,18)14-9-13(15)8-6-11(14)3/h6,8-10,12,16H,5,7,15H2,1-4H3
InChIKeyDAMLGRFQZWDFFZ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.68
Rot. Bonds6

About 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide

5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide (PubChem CID 43576401) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
PubChem CID43576401
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)NC(C)CCC(C)C
InChIInChI=1S/C14H24N2O2S/c1-10(2)5-7-12(4)16-19(17,18)14-9-13(15)8-6-11(14)3/h6,8-10,12,16H,5,7,15H2,1-4H3
InChIKeyDAMLGRFQZWDFFZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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

4-methyl-3-(5-methylhexan-2-ylsulfamoyl)benzoic acid
CID 43401328
5-amino-N-(1-hydroxyethyl)-2-methylbenzenesulfonamide
CID 66751883
4-amino-N-(4-hydroxybutan-2-yl)-2-methylbenzenesulfonamide
CID 83177341
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
5-amino-N-but-3-yn-2-yl-2-methylbenzenesulfonamide
CID 114414706
N-(4-aminobutan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 55033374
5-amino-2-methyl-N-(4-methylpent-1-yn-3-yl)benzenesulfonamide
CID 114201966
5-amino-2-chloro-N-(4-hydroxybutan-2-yl)benzenesulfonamide
CID 83176400
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
2-bromo-4-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 60732124
2-amino-4-cyano-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 64900647
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide (CID 43576401) is 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)NC(C)CCC(C)C.
What is the InChIKey of 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
The InChIKey is DAMLGRFQZWDFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-10(2)5-7-12(4)16-19(17,18)14-9-13(15)8-6-11(14)3/h6,8-10,12,16H,5,7,15H2,1-4H3.
What are the key properties of 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide?
5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-(5-methylhexan-2-yl)benzenesulfonamide is sourced from PubChem (CID 43576401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).