5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide

C24H25Cl2N3O4S — CID 22646293

IUPAC5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide
SMILESCCN(CC)Cc1cc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C24H25Cl2N3O4S/c1-3-29(4-2)15-16-13-19(8-12-23(16)30)27-24(31)21-14-18(26)7-11-22(21)28-34(32,33)20-9-5-17(25)6-10-20/h5-14,28,30H,3-4,15H2,1-2H3,(H,27,31)
InChIKeyRLHNVHUVARPGAI-UHFFFAOYSA-N
MW522.45 g/mol
LogP5.59
Rot. Bonds9

About 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide

5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide (PubChem CID 22646293) has the molecular formula C24H25Cl2N3O4S and a molecular weight of 522.45 g/mol. Its IUPAC name is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide
PubChem CID22646293
Molecular FormulaC24H25Cl2N3O4S
Molecular Weight522.45 g/mol
Exact Mass521.09
IUPAC Name5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide
SMILESCCN(CC)Cc1cc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C24H25Cl2N3O4S/c1-3-29(4-2)15-16-13-19(8-12-23(16)30)27-24(31)21-14-18(26)7-11-22(21)28-34(32,33)20-9-5-17(25)6-10-20/h5-14,28,30H,3-4,15H2,1-2H3,(H,27,31)
InChIKeyRLHNVHUVARPGAI-UHFFFAOYSA-N
XLogP5.59
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide?
The IUPAC name of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide (CID 22646293) is 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide.
What is the SMILES notation for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide?
The canonical SMILES for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide is CCN(CC)Cc1cc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide?
The InChIKey is RLHNVHUVARPGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O4S/c1-3-29(4-2)15-16-13-19(8-12-23(16)30)27-24(31)21-14-18(26)7-11-22(21)28-34(32,33)20-9-5-17(25)6-10-20/h5-14,28,30H,3-4,15H2,1-2H3,(H,27,31).
What are the key properties of 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide?
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide has a molecular weight of 522.45 g/mol, XLogP of 5.59, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-[3-(diethylaminomethyl)-4-hydroxyphenyl]benzamide is sourced from PubChem (CID 22646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).