2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide

C18H19ClN2O4S — CID 1486987

IUPAC2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-26(23,24)13-6-7-14(15(19)12-13)18(22)20-16-4-2-3-5-17(16)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyGDWCRXRSWUWKPV-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.83
Rot. Bonds4

About 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide

2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide (PubChem CID 1486987) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
PubChem CID1486987
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide
SMILESCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C18H19ClN2O4S/c1-26(23,24)13-6-7-14(15(19)12-13)18(22)20-16-4-2-3-5-17(16)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22)
InChIKeyGDWCRXRSWUWKPV-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methylsulfonyl-N-[3-(3-morpholin-4-ylquinolin-2-yl)phenyl]benzamide
CID 141358125
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
2-fluoro-N-(2-morpholin-4-ylphenyl)-5-(propan-2-ylsulfamoyl)benzamide
CID 55604676
2-chloro-N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110400474
2,4-dichloro-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 3478464
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
2-bromo-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 4020087
4-(cyclopropylsulfamoyl)-N-(2-morpholin-4-ylphenyl)benzamide
CID 55377324
2-methyl-5-methylsulfonyl-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55899314
2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 43013801

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide (CID 1486987) is 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide is CS(=O)(=O)c1ccc(C(=O)Nc2ccccc2N2CCOCC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide?
The InChIKey is GDWCRXRSWUWKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-26(23,24)13-6-7-14(15(19)12-13)18(22)20-16-4-2-3-5-17(16)21-8-10-25-11-9-21/h2-7,12H,8-11H2,1H3,(H,20,22).
What are the key properties of 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide?
2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methylsulfonyl-N-(2-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 1486987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).