2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide

C19H25N3O4S — CID 139000511

IUPAC2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
SMILESCCOc1ccc(C2(CNc3ncccc3S(N)(=O)=O)CCOCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-2-26-16-7-5-15(6-8-16)19(9-12-25-13-10-19)14-22-18-17(27(20,23)24)4-3-11-21-18/h3-8,11H,2,9-10,12-14H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyIYPHBZHPRMOSHS-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.29
Rot. Bonds7

About 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide

2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide (PubChem CID 139000511) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
PubChem CID139000511
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
SMILESCCOc1ccc(C2(CNc3ncccc3S(N)(=O)=O)CCOCC2)cc1
InChIInChI=1S/C19H25N3O4S/c1-2-26-16-7-5-15(6-8-16)19(9-12-25-13-10-19)14-22-18-17(27(20,23)24)4-3-11-21-18/h3-8,11H,2,9-10,12-14H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyIYPHBZHPRMOSHS-UHFFFAOYSA-N
XLogP2.29
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The IUPAC name of 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide (CID 139000511) is 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide.
What is the SMILES notation for 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The canonical SMILES for 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide is CCOc1ccc(C2(CNc3ncccc3S(N)(=O)=O)CCOCC2)cc1.
What is the InChIKey of 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
The InChIKey is IYPHBZHPRMOSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-2-26-16-7-5-15(6-8-16)19(9-12-25-13-10-19)14-22-18-17(27(20,23)24)4-3-11-21-18/h3-8,11H,2,9-10,12-14H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide?
2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide has a molecular weight of 391.49 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethoxyphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide is sourced from PubChem (CID 139000511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).