4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide

C16H16BrN3O4S — CID 39954292

IUPAC4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16BrN3O4S/c17-14-2-1-12(16(21)19-13-3-5-18-6-4-13)11-15(14)25(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,18,19,21)
InChIKeyRUOAPDPGQBTYRM-UHFFFAOYSA-N
MW426.29 g/mol
LogP2.12
Rot. Bonds4

About 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide

4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide (PubChem CID 39954292) has the molecular formula C16H16BrN3O4S and a molecular weight of 426.29 g/mol. Its IUPAC name is 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
PubChem CID39954292
Molecular FormulaC16H16BrN3O4S
Molecular Weight426.29 g/mol
Exact Mass425.00
IUPAC Name4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide
SMILESO=C(Nc1ccncc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C16H16BrN3O4S/c17-14-2-1-12(16(21)19-13-3-5-18-6-4-13)11-15(14)25(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,18,19,21)
InChIKeyRUOAPDPGQBTYRM-UHFFFAOYSA-N
XLogP2.12
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 24637915
4-bromo-N-(4-butylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26639223
4-bromo-N-(4-fluoro-3-nitrophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26696937
2-[(4-bromo-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoic acid
CID 1378927
4-bromo-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16549315
4-bromo-3-morpholin-4-ylsulfonylbenzoate
CID 3668553
4-[[3-(azepan-1-ylsulfonyl)-4-bromobenzoyl]amino]benzoate
CID 2173877
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
4-bromo-N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1341863
N-(4-tert-butylphenyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8779876

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide (CID 39954292) is 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide is O=C(Nc1ccncc1)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
The InChIKey is RUOAPDPGQBTYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O4S/c17-14-2-1-12(16(21)19-13-3-5-18-6-4-13)11-15(14)25(22,23)20-7-9-24-10-8-20/h1-6,11H,7-10H2,(H,18,19,21).
What are the key properties of 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide?
4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide has a molecular weight of 426.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-morpholin-4-ylsulfonyl-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 39954292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).