4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide

C20H18N2O3S2 — CID 1253766

IUPAC4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C20H18N2O3S2/c1-26-18-7-5-6-17(14-18)21-20(23)15-10-12-16(13-11-15)22-27(24,25)19-8-3-2-4-9-19/h2-14,22H,1H3,(H,21,23)
InChIKeyOGFIEJDKAFQDEG-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide

4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide (PubChem CID 1253766) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
PubChem CID1253766
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC Name4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
SMILESCSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C20H18N2O3S2/c1-26-18-7-5-6-17(14-18)21-20(23)15-10-12-16(13-11-15)22-27(24,25)19-8-3-2-4-9-19/h2-14,22H,1H3,(H,21,23)
InChIKeyOGFIEJDKAFQDEG-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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Related Compounds

N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
CID 78875489
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 35826812
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
4-(methylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 62185090
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 24638103
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide (CID 1253766) is 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide is CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide?
The InChIKey is OGFIEJDKAFQDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-26-18-7-5-6-17(14-18)21-20(23)15-10-12-16(13-11-15)22-27(24,25)19-8-3-2-4-9-19/h2-14,22H,1H3,(H,21,23).
What are the key properties of 4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide?
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)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-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide is sourced from PubChem (CID 1253766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).