2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide

C14H24N2O2S — CID 103171433

IUPAC2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C14H24N2O2S/c1-5-6-7-12(4)16-19(17,18)14-11(3)9-8-10(2)13(14)15/h8-9,12,16H,5-7,15H2,1-4H3
InChIKeyKFTFBAHZRQIGTF-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.74
Rot. Bonds6

About 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide

2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide (PubChem CID 103171433) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
PubChem CID103171433
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
SMILESCCCCC(C)NS(=O)(=O)c1c(C)ccc(C)c1N
InChIInChI=1S/C14H24N2O2S/c1-5-6-7-12(4)16-19(17,18)14-11(3)9-8-10(2)13(14)15/h8-9,12,16H,5-7,15H2,1-4H3
InChIKeyKFTFBAHZRQIGTF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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

2-amino-N-hexan-2-yl-6-methylbenzenesulfonamide
CID 62196096
3-amino-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 55050396
2-amino-4,6-dibromo-N-hexan-2-ylbenzenesulfonamide
CID 62198326
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612
5-(hexan-2-ylsulfamoyl)-2-methylbenzoic acid
CID 62199105
3-amino-4-fluoro-2,6-dimethyl-N-pentan-2-ylbenzenesulfonamide
CID 107325562
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 103171167
methyl 2-[(2-amino-3,6-dimethylphenyl)sulfonylamino]-3-methylbutanoate
CID 103171117
2-amino-5-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 62196910
4-amino-N-hexan-2-ylnaphthalene-1-sulfonamide
CID 115944465
3-amino-5-bromo-N-hexan-2-yl-2-methylbenzenesulfonamide
CID 114379495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide (CID 103171433) is 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide is CCCCC(C)NS(=O)(=O)c1c(C)ccc(C)c1N.
What is the InChIKey of 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide?
The InChIKey is KFTFBAHZRQIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-6-7-12(4)16-19(17,18)14-11(3)9-8-10(2)13(14)15/h8-9,12,16H,5-7,15H2,1-4H3.
What are the key properties of 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide?
2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 103171433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).