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

C19H19N3O4S — CID 110343671

IUPACN-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)CCO1
InChIInChI=1S/C19H19N3O4S/c1-14-13-22(9-10-26-14)27(24,25)18-4-2-3-16(11-18)19(23)21-17-7-5-15(12-20)6-8-17/h2-8,11,14H,9-10,13H2,1H3,(H,21,23)
InChIKeyDSWLEURFEODHOB-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.22
Rot. Bonds4

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

N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343671) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343671
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)CCO1
InChIInChI=1S/C19H19N3O4S/c1-14-13-22(9-10-26-14)27(24,25)18-4-2-3-16(11-18)19(23)21-17-7-5-15(12-20)6-8-17/h2-8,11,14H,9-10,13H2,1H3,(H,21,23)
InChIKeyDSWLEURFEODHOB-UHFFFAOYSA-N
XLogP2.22
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 46797436
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352531
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
4-(2-methylmorpholin-4-yl)sulfonylbenzonitrile
CID 24692962
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 3876416
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343621
N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]thiophene-2-carboxamide
CID 110352511
N-[4-(2-cyanopropan-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30857520
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343671) is N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)CCO1.
What is the InChIKey of N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is DSWLEURFEODHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-14-13-22(9-10-26-14)27(24,25)18-4-2-3-16(11-18)19(23)21-17-7-5-15(12-20)6-8-17/h2-8,11,14H,9-10,13H2,1H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide?
N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 385.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).