2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide

C17H19BrN2O3S — CID 7759990

IUPAC2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O3S/c1-3-20(4-2)24(22,23)14-9-7-8-13(12-14)19-17(21)15-10-5-6-11-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyZMQCHTIMDOMTRW-UHFFFAOYSA-N
MW411.32 g/mol
LogP3.73
Rot. Bonds6

About 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide

2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide (PubChem CID 7759990) has the molecular formula C17H19BrN2O3S and a molecular weight of 411.32 g/mol. Its IUPAC name is 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide
PubChem CID7759990
Molecular FormulaC17H19BrN2O3S
Molecular Weight411.32 g/mol
Exact Mass410.03
IUPAC Name2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2Br)c1
InChIInChI=1S/C17H19BrN2O3S/c1-3-20(4-2)24(22,23)14-9-7-8-13(12-14)19-17(21)15-10-5-6-11-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKeyZMQCHTIMDOMTRW-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
4-[3-(4-Bromo-phenyl)-3-oxo-propenylamino]-benzenesulfonamide
CID 2185394
2-(2-bromophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 71764398
2-(2-bromophenyl)-N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 71764401
2-(2-bromophenyl)-N-(2-bromo-4-sulfamoylphenyl)acetamide
CID 71764612
3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168284154
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide (CID 7759990) is 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccccc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide?
The InChIKey is ZMQCHTIMDOMTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O3S/c1-3-20(4-2)24(22,23)14-9-7-8-13(12-14)19-17(21)15-10-5-6-11-16(15)18/h5-12H,3-4H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide?
2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide has a molecular weight of 411.32 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(diethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 7759990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).