4-(benzenesulfonamido)-N-butylbenzamide

C17H20N2O3S — CID 2224401

IUPAC4-(benzenesulfonamido)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-3-13-18-17(20)14-9-11-15(12-10-14)19-23(21,22)16-7-5-4-6-8-16/h4-12,19H,2-3,13H2,1H3,(H,18,20)
InChIKeyKAKHSUSGOXHWSK-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.02
Rot. Bonds7

About 4-(benzenesulfonamido)-N-butylbenzamide

4-(benzenesulfonamido)-N-butylbenzamide (PubChem CID 2224401) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-butylbenzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-butylbenzamide
PubChem CID2224401
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-(benzenesulfonamido)-N-butylbenzamide
SMILESCCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-2-3-13-18-17(20)14-9-11-15(12-10-14)19-23(21,22)16-7-5-4-6-8-16/h4-12,19H,2-3,13H2,1H3,(H,18,20)
InChIKeyKAKHSUSGOXHWSK-UHFFFAOYSA-N
XLogP3.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-butylbenzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-butylbenzamide (CID 2224401) is 4-(benzenesulfonamido)-N-butylbenzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-butylbenzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-butylbenzamide is CCCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-butylbenzamide?
The InChIKey is KAKHSUSGOXHWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-3-13-18-17(20)14-9-11-15(12-10-14)19-23(21,22)16-7-5-4-6-8-16/h4-12,19H,2-3,13H2,1H3,(H,18,20).
What are the key properties of 4-(benzenesulfonamido)-N-butylbenzamide?
4-(benzenesulfonamido)-N-butylbenzamide has a molecular weight of 332.43 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-butylbenzamide is sourced from PubChem (CID 2224401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).