4-amino-N,N-dibutyl-2-methylbenzenesulfonamide

C15H26N2O2S — CID 43258806

IUPAC4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C15H26N2O2S/c1-4-6-10-17(11-7-5-2)20(18,19)15-9-8-14(16)12-13(15)3/h8-9,12H,4-7,10-11,16H2,1-3H3
InChIKeyXRZYKOKREGWLGH-UHFFFAOYSA-N
MW298.45 g/mol
LogP3.17
Rot. Bonds8

About 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide

4-amino-N,N-dibutyl-2-methylbenzenesulfonamide (PubChem CID 43258806) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
PubChem CID43258806
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-amino-N,N-dibutyl-2-methylbenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C15H26N2O2S/c1-4-6-10-17(11-7-5-2)20(18,19)15-9-8-14(16)12-13(15)3/h8-9,12H,4-7,10-11,16H2,1-3H3
InChIKeyXRZYKOKREGWLGH-UHFFFAOYSA-N
XLogP3.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-butyl-N,2-dimethylbenzenesulfonamide
CID 43258018
4-(aminomethyl)-N,N-dibutyl-2-methylbenzenesulfonamide
CID 106996655
N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
CID 63767520
4-amino-2-bromo-N-butyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111455
4-amino-N-butyl-2-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111272
4-amino-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 43258909
4-amino-N-benzyl-N-ethyl-2-methylbenzenesulfonamide
CID 43258809
4-amino-2-[butyl(2-hydroxyethyl)sulfamoyl]benzoic acid
CID 102931046
4-amino-N-butyl-N-ethyl-2,6-dimethylbenzenesulfonamide
CID 79589441
2-[(5-amino-2,3-dimethylphenyl)sulfonyl-butylamino]acetamide
CID 61106635
5-amino-2,3-dimethyl-N,N-dipropylbenzenesulfonamide
CID 28551352
4-amino-2-methyl-N,N-di(propan-2-yl)benzenesulfonamide
CID 165486376

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide (CID 43258806) is 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide?
The InChIKey is XRZYKOKREGWLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-4-6-10-17(11-7-5-2)20(18,19)15-9-8-14(16)12-13(15)3/h8-9,12H,4-7,10-11,16H2,1-3H3.
What are the key properties of 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide?
4-amino-N,N-dibutyl-2-methylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dibutyl-2-methylbenzenesulfonamide is sourced from PubChem (CID 43258806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).