2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid

C20H14Cl2N2O5S — CID 10205135

IUPAC2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C20H14Cl2N2O5S/c21-12-5-7-13(8-6-12)23-19(25)15-3-1-2-4-18(15)24-30(28,29)14-9-10-17(22)16(11-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeySNXJWLFWZMJNFG-UHFFFAOYSA-N
MW465.31 g/mol
LogP4.74
Rot. Bonds6

About 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid

2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid (PubChem CID 10205135) has the molecular formula C20H14Cl2N2O5S and a molecular weight of 465.31 g/mol. Its IUPAC name is 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
PubChem CID10205135
Molecular FormulaC20H14Cl2N2O5S
Molecular Weight465.31 g/mol
Exact Mass464.00
IUPAC Name2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C20H14Cl2N2O5S/c21-12-5-7-13(8-6-12)23-19(25)15-3-1-2-4-18(15)24-30(28,29)14-9-10-17(22)16(11-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27)
InChIKeySNXJWLFWZMJNFG-UHFFFAOYSA-N
XLogP4.74
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.31
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 66863129
2-(benzenesulfonamido)-N-(2,4-dichlorophenyl)benzamide
CID 155547933
2-[[2-chloro-5-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356310
2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
CID 44898443
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
CID 10183406
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid (CID 10205135) is 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid?
The InChIKey is SNXJWLFWZMJNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N2O5S/c21-12-5-7-13(8-6-12)23-19(25)15-3-1-2-4-18(15)24-30(28,29)14-9-10-17(22)16(11-14)20(26)27/h1-11,24H,(H,23,25)(H,26,27).
What are the key properties of 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid?
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid has a molecular weight of 465.31 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 10205135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).