4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide

C18H16ClN3O4S — CID 4849756

IUPAC4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H16ClN3O4S/c19-16-5-4-14(18(23)21-15-3-1-2-13(10-15)12-20)11-17(16)27(24,25)22-6-8-26-9-7-22/h1-5,10-11H,6-9H2,(H,21,23)
InChIKeyOIHJVEMFAPRQAA-UHFFFAOYSA-N
MW405.86 g/mol
LogP2.48
Rot. Bonds4

About 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 4849756) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID4849756
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC Name4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H16ClN3O4S/c19-16-5-4-14(18(23)21-15-3-1-2-13(10-15)12-20)11-17(16)27(24,25)22-6-8-26-9-7-22/h1-5,10-11H,6-9H2,(H,21,23)
InChIKeyOIHJVEMFAPRQAA-UHFFFAOYSA-N
XLogP2.48
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1379071
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
CID 9328320
4-chloro-3-morpholin-4-ylsulfonyl-N-(3-nitrophenyl)benzamide
CID 1121791
4-chloro-3-(dimethylsulfamoyl)-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26590050
4-chloro-N-(4-methylsulfanylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 26725964
N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-chloro-N-(2,3-dihydro-1H-inden-5-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 7920749
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenylbenzamide
CID 4877854
N-(4-chloro-3-cyanophenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55480876
4-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 26070595
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26412442

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 4849756) is 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide is N#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is OIHJVEMFAPRQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c19-16-5-4-14(18(23)21-15-3-1-2-13(10-15)12-20)11-17(16)27(24,25)22-6-8-26-9-7-22/h1-5,10-11H,6-9H2,(H,21,23).
What are the key properties of 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 405.86 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4849756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).