2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide

C18H20N2O3S — CID 2147213

IUPAC2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N=C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20N2O3S/c1-15-7-5-6-10-17(15)24(21,22)19-18(16-8-3-2-4-9-16)20-11-13-23-14-12-20/h2-10H,11-14H2,1H3
InChIKeyQVOFLMYKBOPSBC-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide

2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (PubChem CID 2147213) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
PubChem CID2147213
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)N=C(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H20N2O3S/c1-15-7-5-6-10-17(15)24(21,22)19-18(16-8-3-2-4-9-16)20-11-13-23-14-12-20/h2-10H,11-14H2,1H3
InChIKeyQVOFLMYKBOPSBC-UHFFFAOYSA-N
XLogP2.46
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide (CID 2147213) is 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is Cc1ccccc1S(=O)(=O)N=C(c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
The InChIKey is QVOFLMYKBOPSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-15-7-5-6-10-17(15)24(21,22)19-18(16-8-3-2-4-9-16)20-11-13-23-14-12-20/h2-10H,11-14H2,1H3.
What are the key properties of 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide?
2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide is sourced from PubChem (CID 2147213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).