N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C22H21IN2O3S — CID 19062619

IUPACN-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)cc1
InChIInChI=1S/C22H21IN2O3S/c1-14-4-9-19(10-5-14)29(27,28)25-21-13-17(7-6-15(21)2)22(26)24-20-11-8-18(23)12-16(20)3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyBKYGCWZQOORQRV-UHFFFAOYSA-N
MW520.39 g/mol
LogP5.27
Rot. Bonds5

About N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062619) has the molecular formula C22H21IN2O3S and a molecular weight of 520.39 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062619
Molecular FormulaC22H21IN2O3S
Molecular Weight520.39 g/mol
Exact Mass520.03
IUPAC NameN-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)cc1
InChIInChI=1S/C22H21IN2O3S/c1-14-4-9-19(10-5-14)29(27,28)25-21-13-17(7-6-15(21)2)22(26)24-20-11-8-18(23)12-16(20)3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyBKYGCWZQOORQRV-UHFFFAOYSA-N
XLogP5.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.39
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N,4-dimethyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062594
N-(4-iodo-2-methylphenyl)-4-(methylsulfamoyl)benzamide
CID 55407314
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640
N-(3-chloro-4-fluorophenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062615
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 93487088
N-(2,6-dichlorophenyl)-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062806
4-(benzenesulfonamido)-3-chloro-N-(2,4-dimethylphenyl)benzamide
CID 46770830

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062619) is N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(I)cc3C)ccc2C)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is BKYGCWZQOORQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21IN2O3S/c1-14-4-9-19(10-5-14)29(27,28)25-21-13-17(7-6-15(21)2)22(26)24-20-11-8-18(23)12-16(20)3/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 520.39 g/mol, XLogP of 5.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-4-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).