4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide

C24H25ClN2O4S — CID 59174190

IUPAC4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-16-14-23(17(2)13-22(16)25)32(29,30)27-21-6-4-5-20(15-21)18-7-9-19(10-8-18)24(28)26-11-12-31-3/h4-10,13-15,27H,11-12H2,1-3H3,(H,26,28)
InChIKeyVFEABBBMLMZQSQ-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.80
Rot. Bonds8

About 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide

4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide (PubChem CID 59174190) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide
PubChem CID59174190
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-16-14-23(17(2)13-22(16)25)32(29,30)27-21-6-4-5-20(15-21)18-7-9-19(10-8-18)24(28)26-11-12-31-3/h4-10,13-15,27H,11-12H2,1-3H3,(H,26,28)
InChIKeyVFEABBBMLMZQSQ-UHFFFAOYSA-N
XLogP4.80
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(cyanomethyl)-2-methylbenzamide
CID 59174237
2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]benzoyl]amino]-3-phenylpropanoic acid
CID 68546581
4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoic acid
CID 59174218
ethyl 2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]amino]acetate
CID 68547399
(2S)-2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2-methoxybenzoyl]amino]-3-hydroxypropanoic acid
CID 59174264
4-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 86976041
2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2-methylbenzoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 68545881
2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]amino]butanoic acid
CID 68548316
2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2-ethylbenzoyl]amino]propanoic acid
CID 68549427
methyl (2S)-2-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]-methylamino]-4-(dimethylamino)butanoate;hydrochloride
CID 71515109
ethyl 1-[[4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-2,6-dimethylbenzoyl]amino]cyclopropane-1-carboxylate
CID 59174234
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 3629479

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide (CID 59174190) is 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(-c2cccc(NS(=O)(=O)c3cc(C)c(Cl)cc3C)c2)cc1.
What is the InChIKey of 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is VFEABBBMLMZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-16-14-23(17(2)13-22(16)25)32(29,30)27-21-6-4-5-20(15-21)18-7-9-19(10-8-18)24(28)26-11-12-31-3/h4-10,13-15,27H,11-12H2,1-3H3,(H,26,28).
What are the key properties of 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide?
4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 472.99 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 59174190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).