3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide

C14H18Cl2N2O4S — CID 72894552

IUPAC3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
SMILESCc1c(Cl)cc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-9-12(15)5-10(6-13(9)16)14(19)17-7-11-8-18(3-4-22-11)23(2,20)21/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyFTNWRQMGJBZBER-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.69
Rot. Bonds4

About 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide

3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide (PubChem CID 72894552) has the molecular formula C14H18Cl2N2O4S and a molecular weight of 381.28 g/mol. Its IUPAC name is 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
PubChem CID72894552
Molecular FormulaC14H18Cl2N2O4S
Molecular Weight381.28 g/mol
Exact Mass380.04
IUPAC Name3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
SMILESCc1c(Cl)cc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cc1Cl
InChIInChI=1S/C14H18Cl2N2O4S/c1-9-12(15)5-10(6-13(9)16)14(19)17-7-11-8-18(3-4-22-11)23(2,20)21/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyFTNWRQMGJBZBER-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
1-(2-chloro-4,6-dimethylphenyl)-3-[(4-methylsulfonylmorpholin-2-yl)methyl]urea
CID 118782940
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
3-chloro-4-methyl-N-(oxolan-2-ylmethyl)-5-sulfamoylbenzamide
CID 65374560
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965
4-chloro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094780
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide (CID 72894552) is 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide is Cc1c(Cl)cc(C(=O)NCC2CN(S(C)(=O)=O)CCO2)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
The InChIKey is FTNWRQMGJBZBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O4S/c1-9-12(15)5-10(6-13(9)16)14(19)17-7-11-8-18(3-4-22-11)23(2,20)21/h5-6,11H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide?
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide has a molecular weight of 381.28 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide is sourced from PubChem (CID 72894552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).