N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide

C21H18ClFN2O4S — CID 56581236

IUPACN-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(Nc1cc(Cl)ccc1O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H18ClFN2O4S/c22-15-10-11-19(26)17(13-15)24-21(27)18(12-14-6-2-1-3-7-14)25-30(28,29)20-9-5-4-8-16(20)23/h1-11,13,18,25-26H,12H2,(H,24,27)
InChIKeyOXXFVTVSWHYCHB-UHFFFAOYSA-N
MW448.90 g/mol
LogP3.71
Rot. Bonds7

About N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide

N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide (PubChem CID 56581236) has the molecular formula C21H18ClFN2O4S and a molecular weight of 448.90 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
PubChem CID56581236
Molecular FormulaC21H18ClFN2O4S
Molecular Weight448.90 g/mol
Exact Mass448.07
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
SMILESO=C(Nc1cc(Cl)ccc1O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H18ClFN2O4S/c22-15-10-11-19(26)17(13-15)24-21(27)18(12-14-6-2-1-3-7-14)25-30(28,29)20-9-5-4-8-16(20)23/h1-11,13,18,25-26H,12H2,(H,24,27)
InChIKeyOXXFVTVSWHYCHB-UHFFFAOYSA-N
XLogP3.71
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.90
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 55937511
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-fluorophenyl)-3-phenylpropanamide
CID 28542641
2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 43871602
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-[4-(propanoylamino)phenyl]propanamide
CID 55971747
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 18224680
2-[(2-fluorophenyl)sulfonylamino]-3-phenyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)propanamide
CID 24649253
(2R)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-methoxyphenyl)-3-phenylpropanamide
CID 28542771
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541204
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)-3-phenylpropanamide
CID 28542619
(2S)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541201
(2R)-N-(2,5-dichlorophenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 28540016
2-[(2-fluorophenyl)sulfonylamino]-N-[3-(methylamino)propyl]-3-phenylpropanamide
CID 119430209

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide (CID 56581236) is N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide is O=C(Nc1cc(Cl)ccc1O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
The InChIKey is OXXFVTVSWHYCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN2O4S/c22-15-10-11-19(26)17(13-15)24-21(27)18(12-14-6-2-1-3-7-14)25-30(28,29)20-9-5-4-8-16(20)23/h1-11,13,18,25-26H,12H2,(H,24,27).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide?
N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide has a molecular weight of 448.90 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanamide is sourced from PubChem (CID 56581236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).