N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide

C11H15N3O6S — CID 106299010

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CCOCC2)cn1
InChIInChI=1S/C11H15N3O6S/c15-8-11(3-5-20-6-4-11)13-21(18,19)9-1-2-10(12-7-9)14(16)17/h1-2,7,13,15H,3-6,8H2
InChIKeyJVCUZAYWBXGKTJ-UHFFFAOYSA-N
MW317.32 g/mol
LogP-0.19
Rot. Bonds5

About N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide

N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide (PubChem CID 106299010) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide
PubChem CID106299010
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CCOCC2)cn1
InChIInChI=1S/C11H15N3O6S/c15-8-11(3-5-20-6-4-11)13-21(18,19)9-1-2-10(12-7-9)14(16)17/h1-2,7,13,15H,3-6,8H2
InChIKeyJVCUZAYWBXGKTJ-UHFFFAOYSA-N
XLogP-0.19
TPSA131.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
CID 106299114
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751
2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 106296983
6-cyano-N-[1-(hydroxymethyl)cyclopentyl]pyridine-3-sulfonamide
CID 114614808
(2R)-4-hydroxy-2-[(6-nitro-3-pyridinyl)sulfonylamino]butanoic acid
CID 107824077
N-(4-hydroxybutan-2-yl)-6-nitropyridine-3-sulfonamide
CID 83186879
4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]-1-methylpyrrole-2-carboxamide
CID 106298992
6-(aminomethyl)-N-(4-methyloxan-4-yl)pyridine-3-sulfonamide
CID 114613753
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
N-[1-(hydroxymethyl)cyclopentyl]-4-methyl-3-nitrobenzenesulfonamide
CID 62522303
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide (CID 106299010) is N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)NC2(CO)CCOCC2)cn1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide?
The InChIKey is JVCUZAYWBXGKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c15-8-11(3-5-20-6-4-11)13-21(18,19)9-1-2-10(12-7-9)14(16)17/h1-2,7,13,15H,3-6,8H2.
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide?
N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide has a molecular weight of 317.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide is sourced from PubChem (CID 106299010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).