4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide

C32H26N2O3S2 — CID 126271468

IUPAC4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C32H26N2O3S2/c35-32(33-30-18-10-11-19-31(30)38-28-14-6-2-7-15-28)26-22-20-25(21-23-26)24-34(27-12-4-1-5-13-27)39(36,37)29-16-8-3-9-17-29/h1-23H,24H2,(H,33,35)
InChIKeyRYXHZGRWETVMPI-UHFFFAOYSA-N
MW550.71 g/mol
LogP7.49
Rot. Bonds9

About 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide

4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 126271468) has the molecular formula C32H26N2O3S2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID126271468
Molecular FormulaC32H26N2O3S2
Molecular Weight550.71 g/mol
Exact Mass550.14
IUPAC Name4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide
SMILESO=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C32H26N2O3S2/c35-32(33-30-18-10-11-19-31(30)38-28-14-6-2-7-15-28)26-22-20-25(21-23-26)24-34(27-12-4-1-5-13-27)39(36,37)29-16-8-3-9-17-29/h1-23H,24H2,(H,33,35)
InChIKeyRYXHZGRWETVMPI-UHFFFAOYSA-N
XLogP7.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.71
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylsulfonylmethyl)-N-(2-phenylsulfanylphenyl)benzamide
CID 51316561
4-[[N-(benzenesulfonyl)anilino]methyl]-N-benzylbenzamide
CID 1100953
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 126259639
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(3,4-difluorophenyl)benzamide
CID 1297380
4-[[N-(benzenesulfonyl)anilino]methyl]-N-propylbenzamide
CID 4239264
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100502160
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(5-chloro-2-phenoxyphenyl)benzamide
CID 21372436
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 92679889
2-[benzyl(methylsulfonyl)amino]-N-(2-phenylsulfanylphenyl)benzamide
CID 1298465
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 3912814
4-[[N-(benzenesulfonyl)anilino]methyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 94019026
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-(2-methylphenyl)benzamide
CID 2262442

Frequently Asked Questions

What is the IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide (CID 126271468) is 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide is O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is RYXHZGRWETVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3S2/c35-32(33-30-18-10-11-19-31(30)38-28-14-6-2-7-15-28)26-22-20-25(21-23-26)24-34(27-12-4-1-5-13-27)39(36,37)29-16-8-3-9-17-29/h1-23H,24H2,(H,33,35).
What are the key properties of 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide?
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 550.71 g/mol, XLogP of 7.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[N-(benzenesulfonyl)anilino]methyl]-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 126271468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).