5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide

C11H15BrN2O4S — CID 106299114

IUPAC5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c12-9-5-10(7-13-6-9)19(16,17)14-11(8-15)1-3-18-4-2-11/h5-7,14-15H,1-4,8H2
InChIKeyVFIUWXKSOGMKKL-UHFFFAOYSA-N
MW351.22 g/mol
LogP0.66
Rot. Bonds4

About 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide

5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide (PubChem CID 106299114) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
PubChem CID106299114
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(CO)CCOCC1)c1cncc(Br)c1
InChIInChI=1S/C11H15BrN2O4S/c12-9-5-10(7-13-6-9)19(16,17)14-11(8-15)1-3-18-4-2-11/h5-7,14-15H,1-4,8H2
InChIKeyVFIUWXKSOGMKKL-UHFFFAOYSA-N
XLogP0.66
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-5-bromopyridine-3-sulfonamide
CID 63889394
N-[4-(bromomethyl)oxan-4-yl]-5-fluoropyridine-3-sulfonamide
CID 106301327
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313388
5-fluoro-N-[1-(hydroxymethyl)cyclobutyl]pyridine-3-sulfonamide
CID 113431326
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
2-[4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 106296983
N-[4-(hydroxymethyl)oxan-4-yl]-6-nitropyridine-3-sulfonamide
CID 106299010
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
5-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]sulfamoyl]furan-2-carboxylic acid
CID 106297009
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
3-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide (CID 106299114) is 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide is O=S(=O)(NC1(CO)CCOCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide?
The InChIKey is VFIUWXKSOGMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O4S/c12-9-5-10(7-13-6-9)19(16,17)14-11(8-15)1-3-18-4-2-11/h5-7,14-15H,1-4,8H2.
What are the key properties of 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide?
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide has a molecular weight of 351.22 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 106299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).