2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

C24H23ClN2O4S2 — CID 28590683

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C24H23ClN2O4S2/c25-23-11-10-21(33(29,30)27-12-14-31-15-13-27)16-22(23)24(28)26-19-8-6-18(7-9-19)17-32-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,28)
InChIKeyWZLDERFLNZOMLM-UHFFFAOYSA-N
MW503.05 g/mol
LogP4.91
Rot. Bonds7

About 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide

2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (PubChem CID 28590683) has the molecular formula C24H23ClN2O4S2 and a molecular weight of 503.05 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
PubChem CID28590683
Molecular FormulaC24H23ClN2O4S2
Molecular Weight503.05 g/mol
Exact Mass502.08
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CSc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C24H23ClN2O4S2/c25-23-11-10-21(33(29,30)27-12-14-31-15-13-27)16-22(23)24(28)26-19-8-6-18(7-9-19)17-32-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,28)
InChIKeyWZLDERFLNZOMLM-UHFFFAOYSA-N
XLogP4.91
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.05
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 100678383
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126356549
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 99942897
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-methyl-5-morpholin-4-ylsulfonyl-N-(4-phenylphenyl)benzamide
CID 2676901
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
CID 55978562
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide (CID 28590683) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide is O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
The InChIKey is WZLDERFLNZOMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S2/c25-23-11-10-21(33(29,30)27-12-14-31-15-13-27)16-22(23)24(28)26-19-8-6-18(7-9-19)17-32-20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,28).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide has a molecular weight of 503.05 g/mol, XLogP of 4.91, 7 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-[4-(phenylsulfanylmethyl)phenyl]benzamide is sourced from PubChem (CID 28590683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).