4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

C23H24ClN3O5S2 — CID 2980254

IUPAC4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2Cl)c(C)c1
InChIInChI=1S/C23H24ClN3O5S2/c1-15-8-11-21(16(2)12-15)26-34(31,32)22-13-17(9-10-20(22)24)23(28)25-18-6-5-7-19(14-18)27(3)33(4,29)30/h5-14,26H,1-4H3,(H,25,28)
InChIKeyFFGHSKNHEWEREP-UHFFFAOYSA-N
MW522.05 g/mol
LogP4.41
Rot. Bonds7

About 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide

4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (PubChem CID 2980254) has the molecular formula C23H24ClN3O5S2 and a molecular weight of 522.05 g/mol. Its IUPAC name is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
PubChem CID2980254
Molecular FormulaC23H24ClN3O5S2
Molecular Weight522.05 g/mol
Exact Mass521.08
IUPAC Name4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2Cl)c(C)c1
InChIInChI=1S/C23H24ClN3O5S2/c1-15-8-11-21(16(2)12-15)26-34(31,32)22-13-17(9-10-20(22)24)23(28)25-18-6-5-7-19(14-18)27(3)33(4,29)30/h5-14,26H,1-4H3,(H,25,28)
InChIKeyFFGHSKNHEWEREP-UHFFFAOYSA-N
XLogP4.41
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.05
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(phenylsulfamoyl)benzamide
CID 1264396
4-chloro-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 4046422
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
N-(3-acetamidophenyl)-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 25247329
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-methylbenzamide
CID 3680171
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-methylsulfanylphenyl)benzamide
CID 2226910
2-chloro-4-methyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 100520518
methyl 3-[[4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzoyl]amino]-4-methylbenzoate
CID 2304391
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-[methyl(methylsulfonyl)amino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide
CID 1006597

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The IUPAC name of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide (CID 2980254) is 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide.
What is the SMILES notation for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The canonical SMILES for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(N(C)S(C)(=O)=O)c3)ccc2Cl)c(C)c1.
What is the InChIKey of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
The InChIKey is FFGHSKNHEWEREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S2/c1-15-8-11-21(16(2)12-15)26-34(31,32)22-13-17(9-10-20(22)24)23(28)25-18-6-5-7-19(14-18)27(3)33(4,29)30/h5-14,26H,1-4H3,(H,25,28).
What are the key properties of 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide?
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide has a molecular weight of 522.05 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-[3-[methyl(methylsulfonyl)amino]phenyl]benzamide is sourced from PubChem (CID 2980254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).