N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide

C20H18N2O3S2 — CID 78875489

IUPACN-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O3S2/c1-26-18-12-10-15(11-13-18)20(23)21-16-6-5-7-17(14-16)22-27(24,25)19-8-3-2-4-9-19/h2-14,22H,1H3,(H,21,23)
InChIKeyJULAVRQABVIZKX-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.46
Rot. Bonds6

About N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide

N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide (PubChem CID 78875489) has the molecular formula C20H18N2O3S2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
PubChem CID78875489
Molecular FormulaC20H18N2O3S2
Molecular Weight398.51 g/mol
Exact Mass398.08
IUPAC NameN-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C20H18N2O3S2/c1-26-18-12-10-15(11-13-18)20(23)21-16-6-5-7-17(14-16)22-27(24,25)19-8-3-2-4-9-19/h2-14,22H,1H3,(H,21,23)
InChIKeyJULAVRQABVIZKX-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

Analyze N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide 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-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]benzamide
CID 1216913
3-[(4-methylsulfanylbenzoyl)amino]benzoic acid
CID 43238382
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylsulfanylbenzamide
CID 78791501
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
CID 24643343
4-tert-butyl-N-[3-[(4-phenoxyphenyl)sulfonylamino]phenyl]benzamide
CID 46764727
4-(benzenesulfonamido)-N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-2-chlorobenzamide
CID 43908153
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide (CID 78875489) is N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide?
The InChIKey is JULAVRQABVIZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S2/c1-26-18-12-10-15(11-13-18)20(23)21-16-6-5-7-17(14-16)22-27(24,25)19-8-3-2-4-9-19/h2-14,22H,1H3,(H,21,23).
What are the key properties of N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide?
N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide 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 N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 78875489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).