4-morpholin-4-ylsulfonyl-N-phenylbenzamide

C17H18N2O4S — CID 777437

IUPAC4-morpholin-4-ylsulfonyl-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O4S/c20-17(18-15-4-2-1-3-5-15)14-6-8-16(9-7-14)24(21,22)19-10-12-23-13-11-19/h1-9H,10-13H2,(H,18,20)
InChIKeyQEOBQSSDZWICIO-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.96
Rot. Bonds4

About 4-morpholin-4-ylsulfonyl-N-phenylbenzamide

4-morpholin-4-ylsulfonyl-N-phenylbenzamide (PubChem CID 777437) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-phenylbenzamide
PubChem CID777437
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name4-morpholin-4-ylsulfonyl-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H18N2O4S/c20-17(18-15-4-2-1-3-5-15)14-6-8-16(9-7-14)24(21,22)19-10-12-23-13-11-19/h1-9H,10-13H2,(H,18,20)
InChIKeyQEOBQSSDZWICIO-UHFFFAOYSA-N
XLogP1.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-phenylbenzamide (CID 777437) is 4-morpholin-4-ylsulfonyl-N-phenylbenzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
The InChIKey is QEOBQSSDZWICIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c20-17(18-15-4-2-1-3-5-15)14-6-8-16(9-7-14)24(21,22)19-10-12-23-13-11-19/h1-9H,10-13H2,(H,18,20).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-phenylbenzamide?
4-morpholin-4-ylsulfonyl-N-phenylbenzamide has a molecular weight of 346.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-phenylbenzamide is sourced from PubChem (CID 777437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).