4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide

C15H26N2O2S — CID 61476963

IUPAC4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-4-5-6-7-13(2)17-20(18,19)15-10-8-14(12-16)9-11-15/h8-11,13,17H,3-7,12,16H2,1-2H3
InChIKeyBALQPOIJUXUKDN-UHFFFAOYSA-N
MW298.45 g/mol
LogP2.78
Rot. Bonds9

About 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide

4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide (PubChem CID 61476963) has the molecular formula C15H26N2O2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
PubChem CID61476963
Molecular FormulaC15H26N2O2S
Molecular Weight298.45 g/mol
Exact Mass298.17
IUPAC Name4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
SMILESCCCCCCC(C)NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C15H26N2O2S/c1-3-4-5-6-7-13(2)17-20(18,19)15-10-8-14(12-16)9-11-15/h8-11,13,17H,3-7,12,16H2,1-2H3
InChIKeyBALQPOIJUXUKDN-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 52.78
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-octan-2-ylbenzenesulfonamide
CID 61476612
4-(aminomethyl)-N-(1-methylsulfonylpropan-2-yl)benzenesulfonamide
CID 64631806
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-(ethylaminomethyl)-N-hexan-2-ylbenzenesulfonamide
CID 62199697
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
5-(aminomethyl)-1-methyl-N-octan-2-ylpyrrole-3-sulfonamide
CID 106008386
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
4-(ethylamino)-N-hexan-2-ylbenzenesulfonamide
CID 62200099
5-(heptan-2-ylsulfamoyl)pyridine-2-carbothioamide
CID 114614258
4-(aminomethyl)-N-(3-ethylpentan-2-yl)benzenesulfonamide
CID 55262110
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
CID 61466426

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide (CID 61476963) is 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide is CCCCCCC(C)NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide?
The InChIKey is BALQPOIJUXUKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S/c1-3-4-5-6-7-13(2)17-20(18,19)15-10-8-14(12-16)9-11-15/h8-11,13,17H,3-7,12,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide?
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide has a molecular weight of 298.45 g/mol, XLogP of 2.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61476963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).