4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide

C13H22N2O2S — CID 64682841

IUPAC4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)CCCCN
InChIInChI=1S/C13H22N2O2S/c1-2-12-7-3-4-8-13(12)11-15-18(16,17)10-6-5-9-14/h3-4,7-8,15H,2,5-6,9-11,14H2,1H3
InChIKeyNJLKSAQXPCGSQU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.41
Rot. Bonds8

About 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide

4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide (PubChem CID 64682841) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
PubChem CID64682841
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
SMILESCCc1ccccc1CNS(=O)(=O)CCCCN
InChIInChI=1S/C13H22N2O2S/c1-2-12-7-3-4-8-13(12)11-15-18(16,17)10-6-5-9-14/h3-4,7-8,15H,2,5-6,9-11,14H2,1H3
InChIKeyNJLKSAQXPCGSQU-UHFFFAOYSA-N
XLogP1.41
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
CID 61456563
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
4-amino-N-[(3-bromophenyl)methyl]butane-1-sulfonamide
CID 106018731
N-benzylpentadecane-1-sulfonamide
CID 14025944
4-amino-N-[(1-methylpyrazol-3-yl)methyl]butane-1-sulfonamide
CID 82881498
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
CID 106062043
4-amino-N-(2-phenoxyethyl)butane-1-sulfonamide
CID 55017062
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532
4-amino-N-[2-(ethylsulfamoyl)ethyl]butane-1-sulfonamide
CID 106335894

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide?
The IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide (CID 64682841) is 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide is CCc1ccccc1CNS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide?
The InChIKey is NJLKSAQXPCGSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-2-12-7-3-4-8-13(12)11-15-18(16,17)10-6-5-9-14/h3-4,7-8,15H,2,5-6,9-11,14H2,1H3.
What are the key properties of 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide?
4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 64682841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).