N-(4-pentanoylphenyl)benzenesulfonamide

C17H19NO3S — CID 4248853

IUPACN-(4-pentanoylphenyl)benzenesulfonamide
SMILESCCCCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-2-3-9-17(19)14-10-12-15(13-11-14)18-22(20,21)16-7-5-4-6-8-16/h4-8,10-13,18H,2-3,9H2,1H3
InChIKeyIUQQHEZKDWHZMR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.86
Rot. Bonds7

About N-(4-pentanoylphenyl)benzenesulfonamide

N-(4-pentanoylphenyl)benzenesulfonamide (PubChem CID 4248853) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(4-pentanoylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-pentanoylphenyl)benzenesulfonamide
PubChem CID4248853
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC NameN-(4-pentanoylphenyl)benzenesulfonamide
SMILESCCCCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO3S/c1-2-3-9-17(19)14-10-12-15(13-11-14)18-22(20,21)16-7-5-4-6-8-16/h4-8,10-13,18H,2-3,9H2,1H3
InChIKeyIUQQHEZKDWHZMR-UHFFFAOYSA-N
XLogP3.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butanoyl-N-phenylbenzenesulfonamide
CID 82164605
4-heptanoyl-N-(4-hydroxyphenyl)benzenesulfonamide
CID 19594335
N-(4-butanoylphenyl)-4-chlorobenzenesulfonamide
CID 3727676
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
CID 2231369
N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
N-butyl-4-(phenylsulfamoyl)benzamide
CID 18106255
N-(4-heptanoylphenyl)methanesulfonamide
CID 114752118
N-hexyl-4-(phenylsulfamoyl)benzamide
CID 32646547
N-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
4-[2-[4-[(4-butoxyphenyl)sulfonylamino]phenoxy]ethoxy]benzoic acid
CID 68692100
4-(benzenesulfonamido)-N,N-dipropylbenzenesulfonamide
CID 1213371

Frequently Asked Questions

What is the IUPAC name of N-(4-pentanoylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-pentanoylphenyl)benzenesulfonamide (CID 4248853) is N-(4-pentanoylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-pentanoylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-pentanoylphenyl)benzenesulfonamide is CCCCC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-(4-pentanoylphenyl)benzenesulfonamide?
The InChIKey is IUQQHEZKDWHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-2-3-9-17(19)14-10-12-15(13-11-14)18-22(20,21)16-7-5-4-6-8-16/h4-8,10-13,18H,2-3,9H2,1H3.
What are the key properties of N-(4-pentanoylphenyl)benzenesulfonamide?
N-(4-pentanoylphenyl)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentanoylphenyl)benzenesulfonamide is sourced from PubChem (CID 4248853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).