3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide

C19H20BrN3O3S — CID 60555353

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
SMILESCCN(CC(C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H20BrN3O3S/c1-3-23(13-14(2)12-21)19(24)15-5-4-6-18(11-15)27(25,26)22-17-9-7-16(20)8-10-17/h4-11,14,22H,3,13H2,1-2H3
InChIKeyVSVTXKCDWFCTOR-UHFFFAOYSA-N
MW450.36 g/mol
LogP3.87
Rot. Bonds7

About 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide

3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide (PubChem CID 60555353) has the molecular formula C19H20BrN3O3S and a molecular weight of 450.36 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
PubChem CID60555353
Molecular FormulaC19H20BrN3O3S
Molecular Weight450.36 g/mol
Exact Mass449.04
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide
SMILESCCN(CC(C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C19H20BrN3O3S/c1-3-23(13-14(2)12-21)19(24)15-5-4-6-18(11-15)27(25,26)22-17-9-7-16(20)8-10-17/h4-11,14,22H,3,13H2,1-2H3
InChIKeyVSVTXKCDWFCTOR-UHFFFAOYSA-N
XLogP3.87
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanopropyl)-N-ethyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 60555300
3-[[4-(dimethylamino)phenyl]sulfamoyl]-N,N-diethylbenzamide
CID 109065116
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
6-bromo-N-(2-cyanopropyl)-N-ethylnaphthalene-2-carboxamide
CID 115283254
3-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54979092
3-[(4-bromophenyl)sulfamoyl]-N-(2-methoxyethyl)-N-pentan-3-ylbenzamide
CID 55970006
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
N,N-diethyl-3-[[3-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzamide
CID 26712749
N-butan-2-yl-3-[(4-cyanophenyl)sulfamoyl]benzamide
CID 109063102
N-(2-cyanopropyl)-N-ethyl-3,4-dihydroxybenzamide
CID 113358258
N-[2-(dimethylamino)ethyl]-3-[(4-fluorophenyl)sulfamoyl]-N-propylbenzamide
CID 86892169
1-cyanoethyl 3-[(4-butylphenyl)sulfamoyl]benzoate
CID 46675240

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide (CID 60555353) is 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide is CCN(CC(C)C#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide?
The InChIKey is VSVTXKCDWFCTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O3S/c1-3-23(13-14(2)12-21)19(24)15-5-4-6-18(11-15)27(25,26)22-17-9-7-16(20)8-10-17/h4-11,14,22H,3,13H2,1-2H3.
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide has a molecular weight of 450.36 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(2-cyanopropyl)-N-ethylbenzamide is sourced from PubChem (CID 60555353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).