2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide

C22H20ClN3O4S — CID 55978562

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H20ClN3O4S/c23-20-8-7-18(31(28,29)26-10-12-30-13-11-26)14-19(20)22(27)25-21-9-6-17(15-24-21)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,24,25,27)
InChIKeyXJLKUSHPRPTCNJ-UHFFFAOYSA-N
MW457.94 g/mol
LogP3.68
Rot. Bonds5

About 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide (PubChem CID 55978562) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
PubChem CID55978562
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(-c2ccccc2)cn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C22H20ClN3O4S/c23-20-8-7-18(31(28,29)26-10-12-30-13-11-26)14-19(20)22(27)25-21-9-6-17(15-24-21)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,24,25,27)
InChIKeyXJLKUSHPRPTCNJ-UHFFFAOYSA-N
XLogP3.68
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28590683
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 28590695
N-(5-chloro-2-pyridinyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55363513
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-chloro-N',N'-dimethyl-5-morpholin-4-ylsulfonylbenzohydrazide
CID 9163691
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)-5-morpholin-4-ylsulfonylbenzamide
CID 100507560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide (CID 55978562) is 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide is O=C(Nc1ccc(-c2ccccc2)cn1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide?
The InChIKey is XJLKUSHPRPTCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c23-20-8-7-18(31(28,29)26-10-12-30-13-11-26)14-19(20)22(27)25-21-9-6-17(15-24-21)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H,24,25,27).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide has a molecular weight of 457.94 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide is sourced from PubChem (CID 55978562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).