4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide

C23H31N3O5S2 — CID 6489664

IUPAC4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-19-2-6-22(7-3-19)32(27,28)24-18-20-10-12-25(13-11-20)21-4-8-23(9-5-21)33(29,30)26-14-16-31-17-15-26/h2-9,20,24H,10-18H2,1H3
InChIKeyVWMOAWMNLJJWES-UHFFFAOYSA-N
MW493.65 g/mol
LogP2.21
Rot. Bonds7

About 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide

4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 6489664) has the molecular formula C23H31N3O5S2 and a molecular weight of 493.65 g/mol. Its IUPAC name is 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID6489664
Molecular FormulaC23H31N3O5S2
Molecular Weight493.65 g/mol
Exact Mass493.17
IUPAC Name4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1
InChIInChI=1S/C23H31N3O5S2/c1-19-2-6-22(7-3-19)32(27,28)24-18-20-10-12-25(13-11-20)21-4-8-23(9-5-21)33(29,30)26-14-16-31-17-15-26/h2-9,20,24H,10-18H2,1H3
InChIKeyVWMOAWMNLJJWES-UHFFFAOYSA-N
XLogP2.21
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide (CID 6489664) is 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is VWMOAWMNLJJWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S2/c1-19-2-6-22(7-3-19)32(27,28)24-18-20-10-12-25(13-11-20)21-4-8-23(9-5-21)33(29,30)26-14-16-31-17-15-26/h2-9,20,24H,10-18H2,1H3.
What are the key properties of 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide?
4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 493.65 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 6489664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).