2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide

C20H24BrN3O4S — CID 4200083

IUPAC2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O4S/c21-16-6-8-17(9-7-16)29(26,27)23-19-5-2-1-4-18(19)20(25)22-10-3-11-24-12-14-28-15-13-24/h1-2,4-9,23H,3,10-15H2,(H,22,25)
InChIKeyOQHYFRIDJRWPRH-UHFFFAOYSA-N
MW482.40 g/mol
LogP2.70
Rot. Bonds8

About 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 4200083) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID4200083
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC Name2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESO=C(NCCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C20H24BrN3O4S/c21-16-6-8-17(9-7-16)29(26,27)23-19-5-2-1-4-18(19)20(25)22-10-3-11-24-12-14-28-15-13-24/h1-2,4-9,23H,3,10-15H2,(H,22,25)
InChIKeyOQHYFRIDJRWPRH-UHFFFAOYSA-N
XLogP2.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
4-methyl-N-[2-(4-morpholinylcarbonyl)phenyl]benzenesulfonamide
CID 1049836
N-[2-(azepan-1-ylcarbonyl)phenyl]-3-(morpholin-4-ylsulfonyl)benzamide
CID 3238418
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
3-(morpholin-4-ylsulfonyl)-N-[2-(piperidin-1-ylcarbonyl)phenyl]benzamide
CID 3245349
N-(4-Bromophenyl)-4-methyl-3-(morpholine-4-sulfonyl)benzamide
CID 1119024
6-[(4-Bromophenyl)(methyl)sulfamoyl]-N-[2-(morpholin-4-YL)ethyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
CID 3672922
N-[5-bromo-2-(piperidine-1-carbonyl)phenyl]-2,6-difluorobenzenesulfonamide
CID 24755148
Ethyl 4-[3-[(4-bromophenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 24983114
3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 25163735
N-(3-methoxypropyl)-2-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 660328
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1255935

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 4200083) is 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide is O=C(NCCCN1CCOCC1)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OQHYFRIDJRWPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c21-16-6-8-17(9-7-16)29(26,27)23-19-5-2-1-4-18(19)20(25)22-10-3-11-24-12-14-28-15-13-24/h1-2,4-9,23H,3,10-15H2,(H,22,25).
What are the key properties of 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 482.40 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylamino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 4200083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).