4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

C17H17N3O3S — CID 2445791

IUPAC4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C17H17N3O3S/c18-13-14-5-7-15(8-6-14)24(21,22)19-16-3-1-2-4-17(16)20-9-11-23-12-10-20/h1-8,19H,9-12H2
InChIKeyJMVPOUOELRPFRA-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.20
Rot. Bonds4

About 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide

4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 2445791) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID2445791
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1
InChIInChI=1S/C17H17N3O3S/c18-13-14-5-7-15(8-6-14)24(21,22)19-16-3-1-2-4-17(16)20-9-11-23-12-10-20/h1-8,19H,9-12H2
InChIKeyJMVPOUOELRPFRA-UHFFFAOYSA-N
XLogP2.20
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide (CID 2445791) is 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCOCC2)cc1.
What is the InChIKey of 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is JMVPOUOELRPFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c18-13-14-5-7-15(8-6-14)24(21,22)19-16-3-1-2-4-17(16)20-9-11-23-12-10-20/h1-8,19H,9-12H2.
What are the key properties of 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide?
4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2445791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).