4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide

C21H24BrN3O4S — CID 25102357

IUPAC4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H24BrN3O4S/c22-17-6-4-16(5-7-17)21(27)23-13-12-20(26)24-18-8-10-19(11-9-18)30(28,29)25-14-2-1-3-15-25/h4-11H,1-3,12-15H2,(H,23,27)(H,24,26)
InChIKeyMYNXCTJODNZLAK-UHFFFAOYSA-N
MW494.41 g/mol
LogP3.38
Rot. Bonds7

About 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide

4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide (PubChem CID 25102357) has the molecular formula C21H24BrN3O4S and a molecular weight of 494.41 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
PubChem CID25102357
Molecular FormulaC21H24BrN3O4S
Molecular Weight494.41 g/mol
Exact Mass493.07
IUPAC Name4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C21H24BrN3O4S/c22-17-6-4-16(5-7-17)21(27)23-13-12-20(26)24-18-8-10-19(11-9-18)30(28,29)25-14-2-1-3-15-25/h4-11H,1-3,12-15H2,(H,23,27)(H,24,26)
InChIKeyMYNXCTJODNZLAK-UHFFFAOYSA-N
XLogP3.38
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 126507636
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
4-[3-(4-Bromo-phenyl)-3-oxo-propenylamino]-benzenesulfonamide
CID 2185394
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
3-bromo-4-methyl-N-[4-(morpholin-4-ylsulfonyl)phenyl]benzamide
CID 1013383
N-(2-bromo-5-methylphenyl)-3-(3-oxopiperazine-1-carbonyl)benzenesulfonamide
CID 16292738

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide (CID 25102357) is 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The InChIKey is MYNXCTJODNZLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O4S/c22-17-6-4-16(5-7-17)21(27)23-13-12-20(26)24-18-8-10-19(11-9-18)30(28,29)25-14-2-1-3-15-25/h4-11H,1-3,12-15H2,(H,23,27)(H,24,26).
What are the key properties of 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide has a molecular weight of 494.41 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide is sourced from PubChem (CID 25102357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).