2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide

C20H17ClN2O3S2 — CID 24638103

IUPAC2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C20H17ClN2O3S2/c1-27-16-9-12-19(21)18(13-16)20(24)22-14-7-10-17(11-8-14)28(25,26)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24)
InChIKeyJCJXXJQLDZKXCA-UHFFFAOYSA-N
MW432.95 g/mol
LogP5.11
Rot. Bonds6

About 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide

2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide (PubChem CID 24638103) has the molecular formula C20H17ClN2O3S2 and a molecular weight of 432.95 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
PubChem CID24638103
Molecular FormulaC20H17ClN2O3S2
Molecular Weight432.95 g/mol
Exact Mass432.04
IUPAC Name2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
SMILESCSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1
InChIInChI=1S/C20H17ClN2O3S2/c1-27-16-9-12-19(21)18(13-16)20(24)22-14-7-10-17(11-8-14)28(25,26)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24)
InChIKeyJCJXXJQLDZKXCA-UHFFFAOYSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30390821
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-methyl-5-methylsulfanylbenzamide
CID 55533116
2-chloro-N-(3-chlorophenyl)-5-methylsulfanylbenzamide
CID 24638890
2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide (CID 24638103) is 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide is CSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
The InChIKey is JCJXXJQLDZKXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S2/c1-27-16-9-12-19(21)18(13-16)20(24)22-14-7-10-17(11-8-14)28(25,26)23-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24).
What are the key properties of 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide?
2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide has a molecular weight of 432.95 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-[4-(phenylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 24638103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).