3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

C19H22BrN3O4S — CID 25163735

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrN3O4S/c20-16-4-6-17(7-5-16)22-28(25,26)18-3-1-2-15(14-18)19(24)21-8-9-23-10-12-27-13-11-23/h1-7,14,22H,8-13H2,(H,21,24)
InChIKeyIKMOGPKTNQLUBP-UHFFFAOYSA-N
MW468.37 g/mol
LogP2.31
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide

3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 25163735) has the molecular formula C19H22BrN3O4S and a molecular weight of 468.37 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID25163735
Molecular FormulaC19H22BrN3O4S
Molecular Weight468.37 g/mol
Exact Mass467.05
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide
SMILESO=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H22BrN3O4S/c20-16-4-6-17(7-5-16)22-28(25,26)18-3-1-2-15(14-18)19(24)21-8-9-23-10-12-27-13-11-23/h1-7,14,22H,8-13H2,(H,21,24)
InChIKeyIKMOGPKTNQLUBP-UHFFFAOYSA-N
XLogP2.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
CID 1076739
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
2-bromo-N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)benzamide
CID 4173596
N-(2-bromo-5-methylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16292738
3-(azetidine-1-carbonyl)-N-(4-bromophenyl)benzene-1-sulfonamide
CID 24816976
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
3-(diethylsulfamoyl)-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 3240611
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-(4-bromophenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 18108581
Ethyl 4-[3-[(4-bromophenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 24983114

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide (CID 25163735) is 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide is O=C(NCCN1CCOCC1)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is IKMOGPKTNQLUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O4S/c20-16-4-6-17(7-5-16)22-28(25,26)18-3-1-2-15(14-18)19(24)21-8-9-23-10-12-27-13-11-23/h1-7,14,22H,8-13H2,(H,21,24).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 468.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 25163735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).