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

C26H21Cl2N3O5S2 — CID 126412707

IUPACN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2)cc1
InChIInChI=1S/C26H21Cl2N3O5S2/c1-17-5-13-21(14-6-17)37(33,34)30-20-9-7-18(8-10-20)26(32)29-19-11-15-22(16-12-19)38(35,36)31-24-4-2-3-23(27)25(24)28/h2-16,30-31H,1H3,(H,29,32)
InChIKeyBTOCALXIMJKIFF-UHFFFAOYSA-N
MW590.51 g/mol
LogP6.16
Rot. Bonds8

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

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 126412707) has the molecular formula C26H21Cl2N3O5S2 and a molecular weight of 590.51 g/mol. Its IUPAC name is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID126412707
Molecular FormulaC26H21Cl2N3O5S2
Molecular Weight590.51 g/mol
Exact Mass589.03
IUPAC NameN-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2)cc1
InChIInChI=1S/C26H21Cl2N3O5S2/c1-17-5-13-21(14-6-17)37(33,34)30-20-9-7-18(8-10-20)26(32)29-19-11-15-22(16-12-19)38(35,36)31-24-4-2-3-23(27)25(24)28/h2-16,30-31H,1H3,(H,29,32)
InChIKeyBTOCALXIMJKIFF-UHFFFAOYSA-N
XLogP6.16
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.51
LogP ≤ 56.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
N-(2-chloro-4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 26637724
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 126412707) is N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4Cl)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is BTOCALXIMJKIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O5S2/c1-17-5-13-21(14-6-17)37(33,34)30-20-9-7-18(8-10-20)26(32)29-19-11-15-22(16-12-19)38(35,36)31-24-4-2-3-23(27)25(24)28/h2-16,30-31H,1H3,(H,29,32).
What are the key properties of N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 590.51 g/mol, XLogP of 6.16, 8 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-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 126412707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).