N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide

C18H19ClN2O4S — CID 110343662

IUPACN-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CCO1
InChIInChI=1S/C18H19ClN2O4S/c1-13-12-21(8-9-25-13)26(23,24)17-7-2-4-14(10-17)18(22)20-16-6-3-5-15(19)11-16/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22)
InChIKeyVENQHNBKKZEHLS-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.00
Rot. Bonds4

About N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide

N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343662) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343662
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CCO1
InChIInChI=1S/C18H19ClN2O4S/c1-13-12-21(8-9-25-13)26(23,24)17-7-2-4-14(10-17)18(22)20-16-6-3-5-15(19)11-16/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22)
InChIKeyVENQHNBKKZEHLS-UHFFFAOYSA-N
XLogP3.00
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352531
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343671
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(3-chlorophenyl)benzamide
CID 19257247
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 110352511
N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343621
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343662) is N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3)c2)CCO1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is VENQHNBKKZEHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-12-21(8-9-25-13)26(23,24)17-7-2-4-14(10-17)18(22)20-16-6-3-5-15(19)11-16/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 394.88 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).