2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

C22H21ClN2O3S — CID 46772054

IUPAC2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-14-4-9-19(10-5-14)29(27,28)25-18-8-11-20(21(23)13-18)22(26)24-17-7-6-15(2)16(3)12-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyAFEYTCCGSHNIDH-UHFFFAOYSA-N
MW428.94 g/mol
LogP5.32
Rot. Bonds5

About 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 46772054) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID46772054
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-14-4-9-19(10-5-14)29(27,28)25-18-8-11-20(21(23)13-18)22(26)24-17-7-6-15(2)16(3)12-17/h4-13,25H,1-3H3,(H,24,26)
InChIKeyAFEYTCCGSHNIDH-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.94
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(methanesulfonamido)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 92684011
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
2-chloro-N-(3-fluorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770118
2-chloro-N-(3,4-dichlorophenyl)-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46778231
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036
2-chloro-4-[(4-methylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30390821
N-(1,3-benzodioxol-5-yl)-2-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 92679696
2-chloro-N-[4-[(2,4-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43875630
2-chloro-N-[4-[(2-methoxy-5-methylphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99941336
2-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 92673277
2-chloro-N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43915574
2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-5-(methanesulfonamido)benzamide
CID 99959560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 46772054) is 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is AFEYTCCGSHNIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-14-4-9-19(10-5-14)29(27,28)25-18-8-11-20(21(23)13-18)22(26)24-17-7-6-15(2)16(3)12-17/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 428.94 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethylphenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 46772054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).