4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C16H22N2O5S — CID 1116393

IUPAC4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O5S/c19-16(17-12-14-2-1-9-23-14)13-3-5-15(6-4-13)24(20,21)18-7-10-22-11-8-18/h3-6,14H,1-2,7-12H2,(H,17,19)/t14-/m1/s1
InChIKeyBBBALALBFMMCIR-CQSZACIVSA-N
MW354.43 g/mol
LogP0.62
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide

4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 1116393) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
PubChem CID1116393
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
SMILESO=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H22N2O5S/c19-16(17-12-14-2-1-9-23-14)13-3-5-15(6-4-13)24(20,21)18-7-10-22-11-8-18/h3-6,14H,1-2,7-12H2,(H,17,19)/t14-/m1/s1
InChIKeyBBBALALBFMMCIR-CQSZACIVSA-N
XLogP0.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 1116393) is 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide is O=C(NC[C@H]1CCCO1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
The InChIKey is BBBALALBFMMCIR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O5S/c19-16(17-12-14-2-1-9-23-14)13-3-5-15(6-4-13)24(20,21)18-7-10-22-11-8-18/h3-6,14H,1-2,7-12H2,(H,17,19)/t14-/m1/s1.
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 1116393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).