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

C21H20ClN5O6S2 — CID 99942897

IUPAC2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H20ClN5O6S2/c22-19-7-6-17(35(31,32)27-10-12-33-13-11-27)14-18(19)20(28)25-15-2-4-16(5-3-15)34(29,30)26-21-23-8-1-9-24-21/h1-9,14H,10-13H2,(H,25,28)(H,23,24,26)
InChIKeyZNYWQZKDLDNRTJ-UHFFFAOYSA-N
MW538.01 g/mol
LogP2.20
Rot. Bonds7

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

2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 99942897) has the molecular formula C21H20ClN5O6S2 and a molecular weight of 538.01 g/mol. Its IUPAC name is 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID99942897
Molecular FormulaC21H20ClN5O6S2
Molecular Weight538.01 g/mol
Exact Mass537.05
IUPAC Name2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C21H20ClN5O6S2/c22-19-7-6-17(35(31,32)27-10-12-33-13-11-27)14-18(19)20(28)25-15-2-4-16(5-3-15)34(29,30)26-21-23-8-1-9-24-21/h1-9,14H,10-13H2,(H,25,28)(H,23,24,26)
InChIKeyZNYWQZKDLDNRTJ-UHFFFAOYSA-N
XLogP2.20
TPSA147.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.01
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-5-piperidin-1-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 43876591
2-chloro-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882611
2-chloro-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43882607
2-chloro-N-(3,5-dichlorophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26591526
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-N'-pyrimidin-2-yloxamide
CID 108520203
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28590683
N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 43882527
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039
2,4-dichloro-5-morpholin-4-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3344196
2-chloro-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43882584
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide (CID 99942897) is 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is ZNYWQZKDLDNRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O6S2/c22-19-7-6-17(35(31,32)27-10-12-33-13-11-27)14-18(19)20(28)25-15-2-4-16(5-3-15)34(29,30)26-21-23-8-1-9-24-21/h1-9,14H,10-13H2,(H,25,28)(H,23,24,26).
What are the key properties of 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide?
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 538.01 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 99942897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).