N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide

C17H21N3O4S — CID 47064899

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1ccnc(OCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C17H21N3O4S/c21-25(22,20-8-10-23-11-9-20)19-13-16-6-7-18-17(12-16)24-14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2
InChIKeyLWMNPAYOZNXZCU-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.33
Rot. Bonds7

About N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide

N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide (PubChem CID 47064899) has the molecular formula C17H21N3O4S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
PubChem CID47064899
Molecular FormulaC17H21N3O4S
Molecular Weight363.44 g/mol
Exact Mass363.13
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
SMILESO=S(=O)(NCc1ccnc(OCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C17H21N3O4S/c21-25(22,20-8-10-23-11-9-20)19-13-16-6-7-18-17(12-16)24-14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2
InChIKeyLWMNPAYOZNXZCU-UHFFFAOYSA-N
XLogP1.33
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide (CID 47064899) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide is O=S(=O)(NCc1ccnc(OCc2ccccc2)c1)N1CCOCC1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide?
The InChIKey is LWMNPAYOZNXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S/c21-25(22,20-8-10-23-11-9-20)19-13-16-6-7-18-17(12-16)24-14-15-4-2-1-3-5-15/h1-7,12,19H,8-11,13-14H2.
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide has a molecular weight of 363.44 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 47064899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).