2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

C27H23Cl2N3O5S2 — CID 43909818

IUPAC2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)c2)cc1
InChIInChI=1S/C27H23Cl2N3O5S2/c1-17-3-10-22(11-4-17)38(34,35)31-21-9-14-25(29)24(16-21)27(33)30-20-7-12-23(13-8-20)39(36,37)32-26-15-19(28)6-5-18(26)2/h3-16,31-32H,1-2H3,(H,30,33)
InChIKeyHYSJMDKCERPJCW-UHFFFAOYSA-N
MW604.54 g/mol
LogP6.46
Rot. Bonds8

About 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 43909818) has the molecular formula C27H23Cl2N3O5S2 and a molecular weight of 604.54 g/mol. Its IUPAC name is 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID43909818
Molecular FormulaC27H23Cl2N3O5S2
Molecular Weight604.54 g/mol
Exact Mass603.05
IUPAC Name2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)c2)cc1
InChIInChI=1S/C27H23Cl2N3O5S2/c1-17-3-10-22(11-4-17)38(34,35)31-21-9-14-25(29)24(16-21)27(33)30-20-7-12-23(13-8-20)39(36,37)32-26-15-19(28)6-5-18(26)2/h3-16,31-32H,1-2H3,(H,30,33)
InChIKeyHYSJMDKCERPJCW-UHFFFAOYSA-N
XLogP6.46
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.54
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-phenylbenzamide
CID 92683065
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353526
methyl 4-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 92681606
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 92673277
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 43909818) is 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(Cl)ccc4C)cc3)c2)cc1.
What is the InChIKey of 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is HYSJMDKCERPJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl2N3O5S2/c1-17-3-10-22(11-4-17)38(34,35)31-21-9-14-25(29)24(16-21)27(33)30-20-7-12-23(13-8-20)39(36,37)32-26-15-19(28)6-5-18(26)2/h3-16,31-32H,1-2H3,(H,30,33).
What are the key properties of 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 604.54 g/mol, XLogP of 6.46, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 43909818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).