N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide

C24H25NO3S — CID 175545305

IUPACN-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide
SMILESCCC(=O)CC(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-2-23(26)18-21(17-19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-29(27,28)24-11-7-4-8-12-24/h3-16,21,25H,2,17-18H2,1H3
InChIKeyVHIOGNWUBOZLIA-UHFFFAOYSA-N
MW407.54 g/mol
LogP5.18
Rot. Bonds9

About N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide

N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide (PubChem CID 175545305) has the molecular formula C24H25NO3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide
PubChem CID175545305
Molecular FormulaC24H25NO3S
Molecular Weight407.54 g/mol
Exact Mass407.16
IUPAC NameN-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide
SMILESCCC(=O)CC(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25NO3S/c1-2-23(26)18-21(17-19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-29(27,28)24-11-7-4-8-12-24/h3-16,21,25H,2,17-18H2,1H3
InChIKeyVHIOGNWUBOZLIA-UHFFFAOYSA-N
XLogP5.18
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.54
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
4-(benzenesulfonamido)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 20666691
N-[4-(3-oxobutyl)phenyl]benzenesulfonamide
CID 67020204
4-(benzenesulfonamido)-N-ethylbenzenesulfonamide
CID 2230301
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482
2-ethoxy-2-[4-(phenylsulfamoyl)phenyl]acetic acid
CID 71294674
4-butan-2-yl-N-(4-phenyldiazenylphenyl)benzenesulfonamide
CID 22774845
4-(1-hydroxyethyl)-N-phenylbenzenesulfonamide
CID 43507245
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide (CID 175545305) is N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide is CCC(=O)CC(Cc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide?
The InChIKey is VHIOGNWUBOZLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3S/c1-2-23(26)18-21(17-19-9-5-3-6-10-19)20-13-15-22(16-14-20)25-29(27,28)24-11-7-4-8-12-24/h3-16,21,25H,2,17-18H2,1H3.
What are the key properties of N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide?
N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide has a molecular weight of 407.54 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-oxo-1-phenylhexan-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 175545305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).