4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide

C19H24BrN3O3S — CID 3291122

IUPAC4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H24BrN3O3S/c1-3-23(4-2)14-13-21-19(24)15-5-9-17(10-6-15)22-27(25,26)18-11-7-16(20)8-12-18/h5-12,22H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyBCJONPSAZYCLCH-UHFFFAOYSA-N
MW454.39 g/mol
LogP3.32
Rot. Bonds9

About 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide

4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 3291122) has the molecular formula C19H24BrN3O3S and a molecular weight of 454.39 g/mol. Its IUPAC name is 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
PubChem CID3291122
Molecular FormulaC19H24BrN3O3S
Molecular Weight454.39 g/mol
Exact Mass453.07
IUPAC Name4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H24BrN3O3S/c1-3-23(4-2)14-13-21-19(24)15-5-9-17(10-6-15)22-27(25,26)18-11-7-16(20)8-12-18/h5-12,22H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKeyBCJONPSAZYCLCH-UHFFFAOYSA-N
XLogP3.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4853767
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 3691485
4-(butan-2-ylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 43007097
4-[[4-(dimethylamino)phenyl]sulfamoyl]-N-propylbenzamide
CID 109057932
N-[2-(diethylamino)ethyl]-4-[(2,5-dimethoxyphenyl)sulfonylamino]benzamide
CID 3585915
N-[2-(diethylamino)ethyl]-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]benzamide
CID 54255975
N-[2-[ethyl-[2-[4-(methanesulfonamido)phenyl]ethyl]amino]ethyl]-4-(methanesulfonamido)benzamide
CID 67936156
N-[2-[di(propan-2-yl)amino]ethyl]-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25466941
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-bromo-N-[2-(diethylamino)ethylcarbamothioyl]benzamide
CID 54791437
N-butyl-4-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109058620

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide (CID 3291122) is 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is BCJONPSAZYCLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O3S/c1-3-23(4-2)14-13-21-19(24)15-5-9-17(10-6-15)22-27(25,26)18-11-7-16(20)8-12-18/h5-12,22H,3-4,13-14H2,1-2H3,(H,21,24).
What are the key properties of 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide?
4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 454.39 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)sulfonylamino]-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 3291122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).