N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide

C20H17Cl2N3O5S2 — CID 2226252

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C20H17Cl2N3O5S2/c1-31(27,28)24-15-7-5-13(6-8-15)20(26)23-14-9-11-16(12-10-14)32(29,30)25-18-4-2-3-17(21)19(18)22/h2-12,24-25H,1H3,(H,23,26)
InChIKeyUNIOSJGSGVWXLG-UHFFFAOYSA-N
MW514.41 g/mol
LogP4.42
Rot. Bonds7

About N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide (PubChem CID 2226252) has the molecular formula C20H17Cl2N3O5S2 and a molecular weight of 514.41 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
PubChem CID2226252
Molecular FormulaC20H17Cl2N3O5S2
Molecular Weight514.41 g/mol
Exact Mass513.00
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1
InChIInChI=1S/C20H17Cl2N3O5S2/c1-31(27,28)24-15-7-5-13(6-8-15)20(26)23-14-9-11-16(12-10-14)32(29,30)25-18-4-2-3-17(21)19(18)22/h2-12,24-25H,1H3,(H,23,26)
InChIKeyUNIOSJGSGVWXLG-UHFFFAOYSA-N
XLogP4.42
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.41
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
4-(methanesulfonamido)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 2976948
4-(methanesulfonamido)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2978605
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-[[2-chloro-6-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 12017243
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
4-chloro-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 2725735

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide (CID 2226252) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
The InChIKey is UNIOSJGSGVWXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O5S2/c1-31(27,28)24-15-7-5-13(6-8-15)20(26)23-14-9-11-16(12-10-14)32(29,30)25-18-4-2-3-17(21)19(18)22/h2-12,24-25H,1H3,(H,23,26).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide has a molecular weight of 514.41 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 2226252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).