N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

C22H18ClF3N2O3S — CID 126414636

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c1
InChIInChI=1S/C22H18ClF3N2O3S/c1-13-4-3-5-17(10-13)28-32(30,31)20-11-15(7-6-14(20)2)21(29)27-19-12-16(22(24,25)26)8-9-18(19)23/h3-12,28H,1-2H3,(H,27,29)
InChIKeyMDIZLZRZUISDNR-UHFFFAOYSA-N
MW482.91 g/mol
LogP6.03
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 126414636) has the molecular formula C22H18ClF3N2O3S and a molecular weight of 482.91 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID126414636
Molecular FormulaC22H18ClF3N2O3S
Molecular Weight482.91 g/mol
Exact Mass482.07
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c1
InChIInChI=1S/C22H18ClF3N2O3S/c1-13-4-3-5-17(10-13)28-32(30,31)20-11-15(7-6-14(20)2)21(29)27-19-12-16(22(24,25)26)8-9-18(19)23/h3-12,28H,1-2H3,(H,27,29)
InChIKeyMDIZLZRZUISDNR-UHFFFAOYSA-N
XLogP6.03
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.91
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
ethane;4-methyl-N-(2-methylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 142804944
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
4-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126415021
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
N-(2,6-difluorophenyl)-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3249145
N-[3-(4-tert-butylbenzoyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 43885864
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946
N-(2-chlorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 9411375
methyl 4-chloro-3-[[3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 4207135
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 126414636) is N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2C)c1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is MDIZLZRZUISDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N2O3S/c1-13-4-3-5-17(10-13)28-32(30,31)20-11-15(7-6-14(20)2)21(29)27-19-12-16(22(24,25)26)8-9-18(19)23/h3-12,28H,1-2H3,(H,27,29).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 482.91 g/mol, XLogP of 6.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 126414636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).