N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide

C21H19NO5S2 — CID 135065997

IUPACN-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
SMILESCC(=O)c1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19NO5S2/c1-17(23)19-14-12-18(13-15-19)16-22(28(24,25)20-8-4-2-5-9-20)29(26,27)21-10-6-3-7-11-21/h2-15H,16H2,1H3
InChIKeyQQHYCRJVXDMSAF-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.47
Rot. Bonds7

About N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide

N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide (PubChem CID 135065997) has the molecular formula C21H19NO5S2 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
PubChem CID135065997
Molecular FormulaC21H19NO5S2
Molecular Weight429.52 g/mol
Exact Mass429.07
IUPAC NameN-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide
SMILESCC(=O)c1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H19NO5S2/c1-17(23)19-14-12-18(13-15-19)16-22(28(24,25)20-8-4-2-5-9-20)29(26,27)21-10-6-3-7-11-21/h2-15H,16H2,1H3
InChIKeyQQHYCRJVXDMSAF-UHFFFAOYSA-N
XLogP3.47
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156
4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 40750825
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
N-benzyl-N-hydroxybenzenesulfonamide
CID 71955991
4-acetyl-N-methyl-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 26034569
ethyl 4-[[benzenesulfonyl(methyl)amino]methyl]benzoate
CID 100553127
lithium 1-phenylethanone
CID 22269591
4-acetyl-N-benzyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 4879572
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-(benzenesulfonyl)-N-phenacylbenzenesulfonamide
CID 138760798
2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 4787744

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide?
The IUPAC name of N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide (CID 135065997) is N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide?
The canonical SMILES for N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide is CC(=O)c1ccc(CN(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide?
The InChIKey is QQHYCRJVXDMSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5S2/c1-17(23)19-14-12-18(13-15-19)16-22(28(24,25)20-8-4-2-5-9-20)29(26,27)21-10-6-3-7-11-21/h2-15H,16H2,1H3.
What are the key properties of N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide?
N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide has a molecular weight of 429.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetylphenyl)methyl]-N-(benzenesulfonyl)benzenesulfonamide is sourced from PubChem (CID 135065997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).