5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide

C29H20Cl2N2O4S — CID 139818443

IUPAC5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H20Cl2N2O4S/c30-21-6-11-24(12-7-21)37-25-13-9-23(10-14-25)32-29(34)27-18-22(31)8-16-28(27)33-38(35,36)26-15-5-19-3-1-2-4-20(19)17-26/h1-18,33H,(H,32,34)
InChIKeyWTDTXOUOEIZNSV-UHFFFAOYSA-N
MW563.46 g/mol
LogP7.99
Rot. Bonds7

About 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide

5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide (PubChem CID 139818443) has the molecular formula C29H20Cl2N2O4S and a molecular weight of 563.46 g/mol. Its IUPAC name is 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
PubChem CID139818443
Molecular FormulaC29H20Cl2N2O4S
Molecular Weight563.46 g/mol
Exact Mass562.05
IUPAC Name5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C29H20Cl2N2O4S/c30-21-6-11-24(12-7-21)37-25-13-9-23(10-14-25)32-29(34)27-18-22(31)8-16-28(27)33-38(35,36)26-15-5-19-3-1-2-4-20(19)17-26/h1-18,33H,(H,32,34)
InChIKeyWTDTXOUOEIZNSV-UHFFFAOYSA-N
XLogP7.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.46
LogP ≤ 57.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]-5-phenoxybenzamide
CID 11519607
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CID 22646280
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(4-hexoxyphenyl)benzamide
CID 22646312
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
CID 10183406
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]oxy]phenyl]benzamide
CID 150748595
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
5-chloro-N-[3-chloro-4-(1-chloronaphthalen-2-yl)oxyphenyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3894691
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
The IUPAC name of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide (CID 139818443) is 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide.
What is the SMILES notation for 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
The canonical SMILES for 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
The InChIKey is WTDTXOUOEIZNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N2O4S/c30-21-6-11-24(12-7-21)37-25-13-9-23(10-14-25)32-29(34)27-18-22(31)8-16-28(27)33-38(35,36)26-15-5-19-3-1-2-4-20(19)17-26/h1-18,33H,(H,32,34).
What are the key properties of 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide?
5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide has a molecular weight of 563.46 g/mol, XLogP of 7.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(4-chlorophenoxy)phenyl]-2-(naphthalen-2-ylsulfonylamino)benzamide is sourced from PubChem (CID 139818443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).