4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide

C20H18N2O3S2 — CID 1243300

IUPAC4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S2/c1-27(24,25)22-16-13-11-15(12-14-16)20(23)21-18-9-5-6-10-19(18)26-17-7-3-2-4-8-17/h2-14,22H,1H3,(H,21,23)
InChIKeyKXVFMXPWEMFLNG-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds6

About 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide

4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide (PubChem CID 1243300) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide
PubChem CID1243300
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3S2/c1-27(24,25)22-16-13-11-15(12-14-16)20(23)21-18-9-5-6-10-19(18)26-17-7-3-2-4-8-17/h2-14,22H,1H3,(H,21,23)
InChIKeyKXVFMXPWEMFLNG-UHFFFAOYSA-N
XLogP4.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide?
The IUPAC name of 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide (CID 1243300) is 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide?
The InChIKey is KXVFMXPWEMFLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-27(24,25)22-16-13-11-15(12-14-16)20(23)21-18-9-5-6-10-19(18)26-17-7-3-2-4-8-17/h2-14,22H,1H3,(H,21,23).
What are the key properties of 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide?
4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-(2-phenylsulfanylphenyl)benzamide is sourced from PubChem (CID 1243300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).