4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide

C21H17ClFN3O5S — CID 17487643

IUPAC4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)Nc1ccccc1O
InChIInChI=1S/C21H17ClFN3O5S/c22-14-7-10-19(16(23)11-14)32(30,31)26-15-8-5-13(6-9-15)21(29)24-12-20(28)25-17-3-1-2-4-18(17)27/h1-11,26-27H,12H2,(H,24,29)(H,25,28)
InChIKeyFQWOBDYPJBSNGE-UHFFFAOYSA-N
MW477.90 g/mol
LogP3.35
Rot. Bonds7

About 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide

4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide (PubChem CID 17487643) has the molecular formula C21H17ClFN3O5S and a molecular weight of 477.90 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide
PubChem CID17487643
Molecular FormulaC21H17ClFN3O5S
Molecular Weight477.90 g/mol
Exact Mass477.06
IUPAC Name4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)Nc1ccccc1O
InChIInChI=1S/C21H17ClFN3O5S/c22-14-7-10-19(16(23)11-14)32(30,31)26-15-8-5-13(6-9-15)21(29)24-12-20(28)25-17-3-1-2-4-18(17)27/h1-11,26-27H,12H2,(H,24,29)(H,25,28)
InChIKeyFQWOBDYPJBSNGE-UHFFFAOYSA-N
XLogP3.35
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.90
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 24663149
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733
2-[(4-chloro-2-fluorophenyl)sulfonylamino]benzamide
CID 4793321
N-[2-(2-tert-butylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 112997506
methyl 4-[[2-[(4-chlorobenzoyl)amino]acetyl]amino]-3-hydroxybenzoate
CID 108767112
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27813316
[3-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]urea
CID 36510536
3-fluoro-4-(phenylsulfamoyl)benzoic acid
CID 79040936
N-[3-[(4-chloro-2-fluorophenyl)sulfonylamino]-4-methylphenyl]acetamide
CID 47062928
4-chloro-N-(3-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 4849983
N-[2-[4-[(4-chlorophenyl)sulfamoyl]anilino]-2-oxoethyl]-4-methoxybenzamide
CID 2447787

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide (CID 17487643) is 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)Nc1ccccc1O.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide?
The InChIKey is FQWOBDYPJBSNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O5S/c22-14-7-10-19(16(23)11-14)32(30,31)26-15-8-5-13(6-9-15)21(29)24-12-20(28)25-17-3-1-2-4-18(17)27/h1-11,26-27H,12H2,(H,24,29)(H,25,28).
What are the key properties of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide?
4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide has a molecular weight of 477.90 g/mol, XLogP of 3.35, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)sulfonylamino]-N-[2-(2-hydroxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 17487643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).