N-butyl-4-methoxybenzenesulfonamide

C11H17NO3S — CID 2447451

IUPACN-butyl-4-methoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-4-9-12-16(13,14)11-7-5-10(15-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyKSPNBEMEFZGKHZ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.77
Rot. Bonds6

About N-butyl-4-methoxybenzenesulfonamide

N-butyl-4-methoxybenzenesulfonamide (PubChem CID 2447451) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-butyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-methoxybenzenesulfonamide
PubChem CID2447451
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-butyl-4-methoxybenzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-4-9-12-16(13,14)11-7-5-10(15-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyKSPNBEMEFZGKHZ-UHFFFAOYSA-N
XLogP1.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-butyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-butyl-4-methoxybenzenesulfonamide (CID 2447451) is N-butyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-butyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-butyl-4-methoxybenzenesulfonamide is CCCCNS(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-butyl-4-methoxybenzenesulfonamide?
The InChIKey is KSPNBEMEFZGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-4-9-12-16(13,14)11-7-5-10(15-2)6-8-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-4-methoxybenzenesulfonamide?
N-butyl-4-methoxybenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 2447451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).