5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide

C21H18Cl2N2O4S — CID 22646331

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
SMILESCc1ccc(CO)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-13-2-3-14(12-26)10-20(13)24-21(27)18-11-16(23)6-9-19(18)25-30(28,29)17-7-4-15(22)5-8-17/h2-11,25-26H,12H2,1H3,(H,24,27)
InChIKeyIYSUOHASLJFFTM-UHFFFAOYSA-N
MW465.36 g/mol
LogP4.85
Rot. Bonds6

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide (PubChem CID 22646331) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
PubChem CID22646331
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide
SMILESCc1ccc(CO)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18Cl2N2O4S/c1-13-2-3-14(12-26)10-20(13)24-21(27)18-11-16(23)6-9-19(18)25-30(28,29)17-7-4-15(22)5-8-17/h2-11,25-26H,12H2,1H3,(H,24,27)
InChIKeyIYSUOHASLJFFTM-UHFFFAOYSA-N
XLogP4.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.36
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)benzamide
CID 54471115
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(2-pyrrol-1-ylphenyl)benzamide
CID 22646297
4-chloro-2-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444702
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646291
N-(5-chloro-2-methylphenyl)-5-(ethylsulfamoyl)-2-methylbenzamide
CID 43007142
N-[4-(hydroxymethyl)-2-[(4-methylphenyl)sulfonylamino]phenyl]-3,4-dimethylbenzenesulfonamide
CID 144649563
4-chloro-N-(5-iodo-2-methylphenyl)benzenesulfonamide
CID 114257249

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide (CID 22646331) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide is Cc1ccc(CO)cc1NC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
The InChIKey is IYSUOHASLJFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-13-2-3-14(12-26)10-20(13)24-21(27)18-11-16(23)6-9-19(18)25-30(28,29)17-7-4-15(22)5-8-17/h2-11,25-26H,12H2,1H3,(H,24,27).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide has a molecular weight of 465.36 g/mol, XLogP of 4.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[5-(hydroxymethyl)-2-methylphenyl]benzamide is sourced from PubChem (CID 22646331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).