4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide

C17H18BrN3O4S — CID 2104316

IUPAC4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H18BrN3O4S/c1-11(21-17(23)13-4-6-14(18)7-5-13)16(22)20-10-12-2-8-15(9-3-12)26(19,24)25/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)/t11-/m0/s1
InChIKeyUPFYAAFZCMDTTL-NSHDSACASA-N
MW440.32 g/mol
LogP1.53
Rot. Bonds6

About 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide

4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide (PubChem CID 2104316) has the molecular formula C17H18BrN3O4S and a molecular weight of 440.32 g/mol. Its IUPAC name is 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide
PubChem CID2104316
Molecular FormulaC17H18BrN3O4S
Molecular Weight440.32 g/mol
Exact Mass439.02
IUPAC Name4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide
SMILESC[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H18BrN3O4S/c1-11(21-17(23)13-4-6-14(18)7-5-13)16(22)20-10-12-2-8-15(9-3-12)26(19,24)25/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)/t11-/m0/s1
InChIKeyUPFYAAFZCMDTTL-NSHDSACASA-N
XLogP1.53
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide?
The IUPAC name of 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide (CID 2104316) is 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide?
The canonical SMILES for 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide is C[C@H](NC(=O)c1ccc(Br)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide?
The InChIKey is UPFYAAFZCMDTTL-NSHDSACASA-N. The full InChI is InChI=1S/C17H18BrN3O4S/c1-11(21-17(23)13-4-6-14(18)7-5-13)16(22)20-10-12-2-8-15(9-3-12)26(19,24)25/h2-9,11H,10H2,1H3,(H,20,22)(H,21,23)(H2,19,24,25)/t11-/m0/s1.
What are the key properties of 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide?
4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide has a molecular weight of 440.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2S)-1-oxo-1-[(4-sulfamoylphenyl)methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 2104316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).