2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide

C18H19N3O3S — CID 110637498

IUPAC2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCC1COCCN1c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-13-24-11-10-21(14)17-8-6-16(7-9-17)20-25(22,23)18-5-3-2-4-15(18)12-19/h2-9,14,20H,10-11,13H2,1H3
InChIKeyCXGLIXPHXTXFJP-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.58
Rot. Bonds4

About 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide

2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide (PubChem CID 110637498) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
PubChem CID110637498
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC Name2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCC1COCCN1c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1
InChIInChI=1S/C18H19N3O3S/c1-14-13-24-11-10-21(14)17-8-6-16(7-9-17)20-25(22,23)18-5-3-2-4-15(18)12-19/h2-9,14,20H,10-11,13H2,1H3
InChIKeyCXGLIXPHXTXFJP-UHFFFAOYSA-N
XLogP2.58
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637491
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
N-(4-acetylphenyl)-2-cyanobenzenesulfonamide
CID 40655133
2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 110352678
2-[(3-methylmorpholin-4-yl)sulfonylmethyl]benzonitrile
CID 43429177
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967
N-(3-amino-4-methylphenyl)-2-cyanobenzenesulfonamide
CID 29287347
N-(4-morpholin-4-ylphenyl)-2-nitrobenzenesulfonamide
CID 1118418
2-cyano-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856654

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide (CID 110637498) is 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide is CC1COCCN1c1ccc(NS(=O)(=O)c2ccccc2C#N)cc1.
What is the InChIKey of 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is CXGLIXPHXTXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-14-13-24-11-10-21(14)17-8-6-16(7-9-17)20-25(22,23)18-5-3-2-4-15(18)12-19/h2-9,14,20H,10-11,13H2,1H3.
What are the key properties of 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110637498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).