2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide

C18H20BrClN2O3S — CID 51618352

IUPAC2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C18H20BrClN2O3S/c1-3-22(4-2)26(24,25)17-12-15(9-10-16(17)20)21-18(23)11-13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyUUOCXDBMILAGFA-UHFFFAOYSA-N
MW459.79 g/mol
LogP4.31
Rot. Bonds7

About 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide

2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide (PubChem CID 51618352) has the molecular formula C18H20BrClN2O3S and a molecular weight of 459.79 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
PubChem CID51618352
Molecular FormulaC18H20BrClN2O3S
Molecular Weight459.79 g/mol
Exact Mass458.01
IUPAC Name2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(Br)cc2)ccc1Cl
InChIInChI=1S/C18H20BrClN2O3S/c1-3-22(4-2)26(24,25)17-12-15(9-10-16(17)20)21-18(23)11-13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,23)
InChIKeyUUOCXDBMILAGFA-UHFFFAOYSA-N
XLogP4.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.79
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 119679886
2-(4-aminophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide;hydrochloride
CID 119679885
2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(1-ethylpyrazol-4-yl)acetamide
CID 99788498
2-tert-butylsulfanyl-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide
CID 78780498
4-[4-chloro-3-(diethylsulfamoyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133535
4-(aminomethyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]benzamide
CID 119266237
7-amino-N-[4-chloro-3-(diethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119679881
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
N-[4-chloro-3-(diethylsulfamoyl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119679914
(4-bromophenyl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
CID 3281327
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide (CID 51618352) is 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc(Br)cc2)ccc1Cl.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
The InChIKey is UUOCXDBMILAGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3S/c1-3-22(4-2)26(24,25)17-12-15(9-10-16(17)20)21-18(23)11-13-5-7-14(19)8-6-13/h5-10,12H,3-4,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide?
2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide has a molecular weight of 459.79 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 51618352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).