4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C17H20N2O3S — CID 789810

IUPAC4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-2-8-17(9-3-14)23(20,21)18-15-4-6-16(7-5-15)19-10-12-22-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyWOOVPNOEAOLADY-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.63
Rot. Bonds4

About 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 789810) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID789810
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C17H20N2O3S/c1-14-2-8-17(9-3-14)23(20,21)18-15-4-6-16(7-5-15)19-10-12-22-13-11-19/h2-9,18H,10-13H2,1H3
InChIKeyWOOVPNOEAOLADY-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 789810) is 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is WOOVPNOEAOLADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-14-2-8-17(9-3-14)23(20,21)18-15-4-6-16(7-5-15)19-10-12-22-13-11-19/h2-9,18H,10-13H2,1H3.
What are the key properties of 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 332.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 789810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).