N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide

C27H22N2O4S — CID 55934258

IUPACN-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22N2O4S/c30-26(21-9-3-1-4-10-21)28-24-13-7-8-14-25(24)29-27(31)22-17-15-20(16-18-22)19-34(32,33)23-11-5-2-6-12-23/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyNNFFFIBROUFMDK-UHFFFAOYSA-N
MW470.55 g/mol
LogP5.17
Rot. Bonds7

About N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide

N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide (PubChem CID 55934258) has the molecular formula C27H22N2O4S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
PubChem CID55934258
Molecular FormulaC27H22N2O4S
Molecular Weight470.55 g/mol
Exact Mass470.13
IUPAC NameN-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide
SMILESO=C(Nc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C27H22N2O4S/c30-26(21-9-3-1-4-10-21)28-24-13-7-8-14-25(24)29-27(31)22-17-15-20(16-18-22)19-34(32,33)23-11-5-2-6-12-23/h1-18H,19H2,(H,28,30)(H,29,31)
InChIKeyNNFFFIBROUFMDK-UHFFFAOYSA-N
XLogP5.17
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.55
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide 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

4-(benzenesulfonylmethyl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 55759309
N-(2-ethoxyphenyl)-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 6456700
methyl 2-[4-[[4-(benzenesulfonylmethyl)benzoyl]amino]-3-methylphenoxy]acetate
CID 55916883
N-[2-(benzenesulfonamido)phenyl]-4-(methoxymethyl)benzamide
CID 49202399
4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
CID 91641553
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
CID 55948742
4-(benzenesulfonylmethyl)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 55759697
4-(benzenesulfonylmethyl)-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 55757536
N'-[4-(benzenesulfonylmethyl)benzoyl]-5-bromothiophene-2-carbohydrazide
CID 55788997
N-(2-amino-2-methylpropyl)-4-benzylsulfonylbenzamide;hydrochloride
CID 119628783
4-(benzenesulfonylmethyl)-N-[1-(2-chlorophenyl)ethyl]benzamide
CID 55758138
N-(2-acetylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 26067648

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide?
The IUPAC name of N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide (CID 55934258) is N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide.
What is the SMILES notation for N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide?
The canonical SMILES for N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide is O=C(Nc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide?
The InChIKey is NNFFFIBROUFMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O4S/c30-26(21-9-3-1-4-10-21)28-24-13-7-8-14-25(24)29-27(31)22-17-15-20(16-18-22)19-34(32,33)23-11-5-2-6-12-23/h1-18H,19H2,(H,28,30)(H,29,31).
What are the key properties of N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide?
N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidophenyl)-4-(benzenesulfonylmethyl)benzamide is sourced from PubChem (CID 55934258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).