2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide

C20H17ClN2O3S — CID 92683065

IUPAC2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-7-10-17(11-8-14)27(25,26)23-16-9-12-19(21)18(13-16)20(24)22-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24)
InChIKeyHUTJMRINJGUCOZ-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.70
Rot. Bonds5

About 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide (PubChem CID 92683065) has the molecular formula C20H17ClN2O3S and a molecular weight of 400.89 g/mol. Its IUPAC name is 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide.

Molecular Properties

Compound Name2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
PubChem CID92683065
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.89 g/mol
Exact Mass400.06
IUPAC Name2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C20H17ClN2O3S/c1-14-7-10-17(11-8-14)27(25,26)23-16-9-12-19(21)18(13-16)20(24)22-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24)
InChIKeyHUTJMRINJGUCOZ-UHFFFAOYSA-N
XLogP4.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
5-(benzenesulfonamido)-2-chloro-N-(3-methylphenyl)benzamide
CID 99954577
5-(benzenesulfonamido)-2-chloro-N-(3,5-dimethylphenyl)benzamide
CID 28575633
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
N-(2-bromophenyl)-2-chloro-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 28572809
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
5-(benzenesulfonamido)-2-chloro-N-(3-chlorophenyl)benzamide
CID 92674550
5-(benzenesulfonamido)-2-chloro-N-[4-(pyridin-3-ylsulfamoyl)phenyl]benzamide
CID 43904807
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide?
The IUPAC name of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide (CID 92683065) is 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide.
What is the SMILES notation for 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide?
The canonical SMILES for 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide?
The InChIKey is HUTJMRINJGUCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3S/c1-14-7-10-17(11-8-14)27(25,26)23-16-9-12-19(21)18(13-16)20(24)22-15-5-3-2-4-6-15/h2-13,23H,1H3,(H,22,24).
What are the key properties of 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide?
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide has a molecular weight of 400.89 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide is sourced from PubChem (CID 92683065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).