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

C28H26ClN3O5S2 — CID 126353526

IUPACN-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1
InChIInChI=1S/C28H26ClN3O5S2/c1-19-8-14-24(15-9-19)39(36,37)32(3)27-7-5-4-6-25(27)28(33)30-22-12-16-23(17-13-22)38(34,35)31-26-18-21(29)11-10-20(26)2/h4-18,31H,1-3H3,(H,30,33)
InChIKeyQSFVTUVCMJEBFM-UHFFFAOYSA-N
MW584.12 g/mol
LogP5.84
Rot. Bonds8

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

N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 126353526) has the molecular formula C28H26ClN3O5S2 and a molecular weight of 584.12 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID126353526
Molecular FormulaC28H26ClN3O5S2
Molecular Weight584.12 g/mol
Exact Mass583.10
IUPAC NameN-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1
InChIInChI=1S/C28H26ClN3O5S2/c1-19-8-14-24(15-9-19)39(36,37)32(3)27-7-5-4-6-25(27)28(33)30-22-12-16-23(17-13-22)38(34,35)31-26-18-21(29)11-10-20(26)2/h4-18,31H,1-3H3,(H,30,33)
InChIKeyQSFVTUVCMJEBFM-UHFFFAOYSA-N
XLogP5.84
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.12
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353986
2-chloro-N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909818
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43886795
1-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-3-(4-chlorophenyl)urea
CID 2983994
2-[methyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 126262288
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzamide
CID 100532256
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 43882515
N-[3-(benzenesulfonamido)-4-methylphenyl]-2,4-dichlorobenzamide
CID 46465631
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
2-(benzenesulfonamido)-N-(5-chloro-2-methylphenyl)benzamide
CID 2977231
2-(2,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 126414676
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 126353526) is N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1.
What is the InChIKey of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is QSFVTUVCMJEBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN3O5S2/c1-19-8-14-24(15-9-19)39(36,37)32(3)27-7-5-4-6-25(27)28(33)30-22-12-16-23(17-13-22)38(34,35)31-26-18-21(29)11-10-20(26)2/h4-18,31H,1-3H3,(H,30,33).
What are the key properties of N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 584.12 g/mol, XLogP of 5.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 126353526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).