3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide

C18H19ClN2O4S — CID 110352531

IUPAC3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)CCO1
InChIInChI=1S/C18H19ClN2O4S/c1-13-12-21(8-9-25-13)26(23,24)17-7-3-6-16(11-17)20-18(22)14-4-2-5-15(19)10-14/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22)
InChIKeyTWGSXJBGPMXZJG-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.00
Rot. Bonds4

About 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide

3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide (PubChem CID 110352531) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
PubChem CID110352531
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC Name3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
SMILESCC1CN(S(=O)(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)CCO1
InChIInChI=1S/C18H19ClN2O4S/c1-13-12-21(8-9-25-13)26(23,24)17-7-3-6-16(11-17)20-18(22)14-4-2-5-15(19)10-14/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22)
InChIKeyTWGSXJBGPMXZJG-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

N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
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-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 110352511
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
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
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 7759044
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide (CID 110352531) is 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide is CC1CN(S(=O)(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)CCO1.
What is the InChIKey of 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
The InChIKey is TWGSXJBGPMXZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-13-12-21(8-9-25-13)26(23,24)17-7-3-6-16(11-17)20-18(22)14-4-2-5-15(19)10-14/h2-7,10-11,13H,8-9,12H2,1H3,(H,20,22).
What are the key properties of 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide?
3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide 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 3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 110352531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).