3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide

C21H19BrN2O4S — CID 50740454

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
SMILESO=C(CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19BrN2O4S/c22-16-6-12-19(13-7-16)29(27,28)24-20(15-4-2-1-3-5-15)14-21(26)23-17-8-10-18(25)11-9-17/h1-13,20,24-25H,14H2,(H,23,26)
InChIKeyGOEQRBAZTSCHCZ-UHFFFAOYSA-N
MW475.36 g/mol
LogP4.20
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide

3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide (PubChem CID 50740454) has the molecular formula C21H19BrN2O4S and a molecular weight of 475.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
PubChem CID50740454
Molecular FormulaC21H19BrN2O4S
Molecular Weight475.36 g/mol
Exact Mass474.02
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide
SMILESO=C(CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)Nc1ccc(O)cc1
InChIInChI=1S/C21H19BrN2O4S/c22-16-6-12-19(13-7-16)29(27,28)24-20(15-4-2-1-3-5-15)14-21(26)23-17-8-10-18(25)11-9-17/h1-13,20,24-25H,14H2,(H,23,26)
InChIKeyGOEQRBAZTSCHCZ-UHFFFAOYSA-N
XLogP4.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.36
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-bromophenyl)sulfonylamino]-N-(4-nitrophenyl)-3-phenylpropanamide
CID 50740445
methyl 3-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 50739470
(3S)-N-(3-bromo-4-chlorophenyl)-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126010101
3-[(4-bromophenyl)sulfonylamino]-3-phenyl-N,N-dipropylpropanamide
CID 50740399
(3R)-3-acetamido-3-phenyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752777
3-[(4-chlorophenyl)sulfonylamino]-N-(3-methylphenyl)-3-phenylpropanamide
CID 50740235
N-(4-hydroxyphenyl)-3,3-diphenylpropanamide
CID 836165
(3S)-N-[4-(1-bicyclo[2.2.2]octanyl)phenyl]-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 126344002
(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
CID 25197367
(2S)-N-(4-bromophenyl)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanamide
CID 98302323
tert-butyl N-[(1R)-3-(4-bromoanilino)-3-oxo-1-phenylpropyl]carbamate
CID 140535621
(2R)-2-[(4-bromophenyl)sulfonylamino]-N-phenylpropanamide
CID 1296182

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide (CID 50740454) is 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide is O=C(CC(NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1)Nc1ccc(O)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide?
The InChIKey is GOEQRBAZTSCHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN2O4S/c22-16-6-12-19(13-7-16)29(27,28)24-20(15-4-2-1-3-5-15)14-21(26)23-17-8-10-18(25)11-9-17/h1-13,20,24-25H,14H2,(H,23,26).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide has a molecular weight of 475.36 g/mol, XLogP of 4.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(4-hydroxyphenyl)-3-phenylpropanamide is sourced from PubChem (CID 50740454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).