6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C19H20ClN3O5S — CID 55682093

IUPAC6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NCc3cccnc3OC3CCCC3)c(Cl)cc2N1
InChIInChI=1S/C19H20ClN3O5S/c20-14-8-15-16(27-11-18(24)23-15)9-17(14)29(25,26)22-10-12-4-3-7-21-19(12)28-13-5-1-2-6-13/h3-4,7-9,13,22H,1-2,5-6,10-11H2,(H,23,24)
InChIKeyHDDLBGPASILGAL-UHFFFAOYSA-N
MW437.91 g/mol
LogP2.87
Rot. Bonds6

About 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 55682093) has the molecular formula C19H20ClN3O5S and a molecular weight of 437.91 g/mol. Its IUPAC name is 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID55682093
Molecular FormulaC19H20ClN3O5S
Molecular Weight437.91 g/mol
Exact Mass437.08
IUPAC Name6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NCc3cccnc3OC3CCCC3)c(Cl)cc2N1
InChIInChI=1S/C19H20ClN3O5S/c20-14-8-15-16(27-11-18(24)23-15)9-17(14)29(25,26)22-10-12-4-3-7-21-19(12)28-13-5-1-2-6-13/h3-4,7-9,13,22H,1-2,5-6,10-11H2,(H,23,24)
InChIKeyHDDLBGPASILGAL-UHFFFAOYSA-N
XLogP2.87
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 55682093) is 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is O=C1COc2cc(S(=O)(=O)NCc3cccnc3OC3CCCC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is HDDLBGPASILGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O5S/c20-14-8-15-16(27-11-18(24)23-15)9-17(14)29(25,26)22-10-12-4-3-7-21-19(12)28-13-5-1-2-6-13/h3-4,7-9,13,22H,1-2,5-6,10-11H2,(H,23,24).
What are the key properties of 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 437.91 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 55682093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).