N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide

C20H16Cl2N2O4S — CID 90343255

IUPACN-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C20H16Cl2N2O4S/c1-24(17-9-5-15(22)6-10-17)29(27,28)19-12-13(2-11-18(19)25)20(26)23-16-7-3-14(21)4-8-16/h2-12,25H,1H3,(H,23,26)
InChIKeyBABRIZHGCNGCJH-UHFFFAOYSA-N
MW451.33 g/mol
LogP4.78
Rot. Bonds5

About N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide

N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide (PubChem CID 90343255) has the molecular formula C20H16Cl2N2O4S and a molecular weight of 451.33 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide
PubChem CID90343255
Molecular FormulaC20H16Cl2N2O4S
Molecular Weight451.33 g/mol
Exact Mass450.02
IUPAC NameN-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide
SMILESCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C20H16Cl2N2O4S/c1-24(17-9-5-15(22)6-10-17)29(27,28)19-12-13(2-11-18(19)25)20(26)23-16-7-3-14(21)4-8-16/h2-12,25H,1H3,(H,23,26)
InChIKeyBABRIZHGCNGCJH-UHFFFAOYSA-N
XLogP4.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.33
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
2-chloro-N-(3-hydroxyphenyl)-5-(pyrrolidine-1-sulfonyl)benzamide
CID 647560
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-propan-2-ylbenzamide
CID 146601347
N-(4-chloro-2-fluorophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2114704
N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-methoxybenzamide
CID 90342780
N-(4-chlorophenyl)-3-[(4-chlorophenyl)sulfamoyl]-4-hydroxybenzamide
CID 90342857
N-(4-chlorophenyl)-3-[[4-(1-hydroxyethyl)phenyl]-methylsulfamoyl]benzamide
CID 90343025
N-(4-chlorophenyl)-3-{[(4-chlorophenyl)amino]sulfonyl}-4-methoxybenzamide
CID 1279671
N-(4-Chloro-2-fluorophenyl)-2-fluoro-5-{[(4-methoxyphenyl)methyl]sulfamoyl}benzamide
CID 4125906
N-(4-Chlorophenyl)-2-fluoro-5-{[(4-methoxyphenyl)methyl]sulfamoyl}benzamide
CID 16000371
12-Chloro-18,20-difluoro-13-hydroxy-15,15-dioxo-15lambda6-thia-8,16-diazatetracyclo[15.3.1.110,14.02,7]docosa-1(21),2,4,6,10(22),11,13,17,19-nonaen-9-one
CID 178294558
4-chloro-3-[(diethylamino)sulfonyl]-N-(3-hydroxyphenyl)benzamide
CID 1124175

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide?
The IUPAC name of N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide (CID 90343255) is N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide is CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1O.
What is the InChIKey of N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide?
The InChIKey is BABRIZHGCNGCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S/c1-24(17-9-5-15(22)6-10-17)29(27,28)19-12-13(2-11-18(19)25)20(26)23-16-7-3-14(21)4-8-16/h2-12,25H,1H3,(H,23,26).
What are the key properties of N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide?
N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide has a molecular weight of 451.33 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[(4-chlorophenyl)-methylsulfamoyl]-4-hydroxybenzamide is sourced from PubChem (CID 90343255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).