4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide

C21H24ClFN2O4S — CID 42977391

IUPAC4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)NC(C)c3ccc(F)cc3)ccc2Cl)CC(C)O1
InChIInChI=1S/C21H24ClFN2O4S/c1-13-11-25(12-14(2)29-13)30(27,28)20-10-17(6-9-19(20)22)21(26)24-15(3)16-4-7-18(23)8-5-16/h4-10,13-15H,11-12H2,1-3H3,(H,24,26)
InChIKeyMBEUAOQSNVMDTB-UHFFFAOYSA-N
MW454.95 g/mol
LogP3.77
Rot. Bonds5

About 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 42977391) has the molecular formula C21H24ClFN2O4S and a molecular weight of 454.95 g/mol. Its IUPAC name is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide
PubChem CID42977391
Molecular FormulaC21H24ClFN2O4S
Molecular Weight454.95 g/mol
Exact Mass454.11
IUPAC Name4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cc(C(=O)NC(C)c3ccc(F)cc3)ccc2Cl)CC(C)O1
InChIInChI=1S/C21H24ClFN2O4S/c1-13-11-25(12-14(2)29-13)30(27,28)20-10-17(6-9-19(20)22)21(26)24-15(3)16-4-7-18(23)8-5-16/h4-10,13-15H,11-12H2,1-3H3,(H,24,26)
InChIKeyMBEUAOQSNVMDTB-UHFFFAOYSA-N
XLogP3.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.95
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46440663
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1-methoxypropan-2-yl)benzamide
CID 18273667
4-chloro-N-(4-chloro-3-fluorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55796488
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 3851171
4-chloro-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412224
4-chloro-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2412227
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27773305
N-(3-acetamidophenyl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55335559
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 55879882
4-chloro-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[(4-methylphenyl)methyl]benzamide
CID 2664064

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide (CID 42977391) is 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide is CC1CN(S(=O)(=O)c2cc(C(=O)NC(C)c3ccc(F)cc3)ccc2Cl)CC(C)O1.
What is the InChIKey of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is MBEUAOQSNVMDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClFN2O4S/c1-13-11-25(12-14(2)29-13)30(27,28)20-10-17(6-9-19(20)22)21(26)24-15(3)16-4-7-18(23)8-5-16/h4-10,13-15H,11-12H2,1-3H3,(H,24,26).
What are the key properties of 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide?
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 454.95 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 42977391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).