4-pentylbenzenesulfonamide

C11H17NO2S — CID 2053748

IUPAC4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)
InChIKeyXXGOKBCTMIKJHF-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.07
Rot. Bonds5

About 4-pentylbenzenesulfonamide

4-pentylbenzenesulfonamide (PubChem CID 2053748) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-pentylbenzenesulfonamide.

Molecular Properties

Compound Name4-pentylbenzenesulfonamide
PubChem CID2053748
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name4-pentylbenzenesulfonamide
SMILESCCCCCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14)
InChIKeyXXGOKBCTMIKJHF-UHFFFAOYSA-N
XLogP2.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.07
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 4-pentylbenzenesulfonamide?
The IUPAC name of 4-pentylbenzenesulfonamide (CID 2053748) is 4-pentylbenzenesulfonamide.
What is the SMILES notation for 4-pentylbenzenesulfonamide?
The canonical SMILES for 4-pentylbenzenesulfonamide is CCCCCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-pentylbenzenesulfonamide?
The InChIKey is XXGOKBCTMIKJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-2-3-4-5-10-6-8-11(9-7-10)15(12,13)14/h6-9H,2-5H2,1H3,(H2,12,13,14).
What are the key properties of 4-pentylbenzenesulfonamide?
4-pentylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylbenzenesulfonamide is sourced from PubChem (CID 2053748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).