4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide

C22H20ClIN2O3S — CID 3587914

IUPAC4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2Cl)c1
InChIInChI=1S/C22H20ClIN2O3S/c1-13-8-14(2)10-18(9-13)26-30(28,29)21-12-16(4-6-19(21)23)22(27)25-20-7-5-17(24)11-15(20)3/h4-12,26H,1-3H3,(H,25,27)
InChIKeySQMWAESNMFMECS-UHFFFAOYSA-N
MW554.84 g/mol
LogP5.92
Rot. Bonds5

About 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide

4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide (PubChem CID 3587914) has the molecular formula C22H20ClIN2O3S and a molecular weight of 554.84 g/mol. Its IUPAC name is 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
PubChem CID3587914
Molecular FormulaC22H20ClIN2O3S
Molecular Weight554.84 g/mol
Exact Mass553.99
IUPAC Name4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2Cl)c1
InChIInChI=1S/C22H20ClIN2O3S/c1-13-8-14(2)10-18(9-13)26-30(28,29)21-12-16(4-6-19(21)23)22(27)25-20-7-5-17(24)11-15(20)3/h4-12,26H,1-3H3,(H,25,27)
InChIKeySQMWAESNMFMECS-UHFFFAOYSA-N
XLogP5.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.84
LogP ≤ 55.92
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

4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
3-chloro-N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 28636371
4-chloro-N-(3,5-dimethylphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388373
N-(4-bromophenyl)-4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]benzamide
CID 3355768
ethyl 3-chloro-4-[[3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 99949190
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 126413232
4-chloro-N-(2-chlorophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126388395
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-pentan-2-ylbenzamide
CID 4675305

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide (CID 3587914) is 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(I)cc3C)ccc2Cl)c1.
What is the InChIKey of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide?
The InChIKey is SQMWAESNMFMECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClIN2O3S/c1-13-8-14(2)10-18(9-13)26-30(28,29)21-12-16(4-6-19(21)23)22(27)25-20-7-5-17(24)11-15(20)3/h4-12,26H,1-3H3,(H,25,27).
What are the key properties of 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide?
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide has a molecular weight of 554.84 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-iodo-2-methylphenyl)benzamide is sourced from PubChem (CID 3587914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).