N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide

C18H19ClN2O4S — CID 99955558

IUPACN-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19ClN2O4S/c19-16-3-1-2-4-17(16)20-18(22)15-7-5-14(6-8-15)13-26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyWQWBNJFVLNLBND-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.75
Rot. Bonds5

About N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide

N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide (PubChem CID 99955558) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
PubChem CID99955558
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C18H19ClN2O4S/c19-16-3-1-2-4-17(16)20-18(22)15-7-5-14(6-8-15)13-26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22)
InChIKeyWQWBNJFVLNLBND-UHFFFAOYSA-N
XLogP2.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzamide
CID 28565234
ethyl 3-chloro-4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 46778632
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 92646444
methyl 2-chloro-5-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92672400
4-(morpholin-4-ylsulfonylmethyl)-N-(2-phenylethyl)benzamide
CID 92678255
N-(2,5-dichlorophenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 30378930
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 53285976
dimethyl 2-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzene-1,4-dicarboxylate
CID 28580238
4-(morpholin-4-ylsulfonylmethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46764240
N-(2,4-dimethoxyphenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 99951275

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The IUPAC name of N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide (CID 99955558) is N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide is O=C(Nc1ccccc1Cl)c1ccc(CS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The InChIKey is WQWBNJFVLNLBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c19-16-3-1-2-4-17(16)20-18(22)15-7-5-14(6-8-15)13-26(23,24)21-9-11-25-12-10-21/h1-8H,9-13H2,(H,20,22).
What are the key properties of N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide?
N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide has a molecular weight of 394.88 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-(morpholin-4-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 99955558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).