N-butylbenzenesulfonamide

C10H15NO2S — CID 19241

IUPACN-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyIPRJXAGUEGOFGG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.76
Rot. Bonds5

About N-butylbenzenesulfonamide

N-butylbenzenesulfonamide (PubChem CID 19241) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is N-butylbenzenesulfonamide.

Molecular Properties

Compound NameN-butylbenzenesulfonamide
PubChem CID19241
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC NameN-butylbenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
InChIKeyIPRJXAGUEGOFGG-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butylbenzenesulfonamide?
The IUPAC name of N-butylbenzenesulfonamide (CID 19241) is N-butylbenzenesulfonamide.
What is the SMILES notation for N-butylbenzenesulfonamide?
The canonical SMILES for N-butylbenzenesulfonamide is CCCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-butylbenzenesulfonamide?
The InChIKey is IPRJXAGUEGOFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-2-3-9-11-14(12,13)10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3.
What are the key properties of N-butylbenzenesulfonamide?
N-butylbenzenesulfonamide has a molecular weight of 213.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylbenzenesulfonamide is sourced from PubChem (CID 19241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).