2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

C12H15Br2NO4S — CID 106299191

IUPAC2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCOCC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO4S/c13-9-1-2-10(14)11(7-9)20(17,18)15-12(8-16)3-5-19-6-4-12/h1-2,7,15-16H,3-6,8H2
InChIKeyFWJZSROPCPPEIG-UHFFFAOYSA-N
MW429.13 g/mol
LogP2.03
Rot. Bonds4

About 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide

2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (PubChem CID 106299191) has the molecular formula C12H15Br2NO4S and a molecular weight of 429.13 g/mol. Its IUPAC name is 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
PubChem CID106299191
Molecular FormulaC12H15Br2NO4S
Molecular Weight429.13 g/mol
Exact Mass426.91
IUPAC Name2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1(CO)CCOCC1)c1cc(Br)ccc1Br
InChIInChI=1S/C12H15Br2NO4S/c13-9-1-2-10(14)11(7-9)20(17,18)15-12(8-16)3-5-19-6-4-12/h1-2,7,15-16H,3-6,8H2
InChIKeyFWJZSROPCPPEIG-UHFFFAOYSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.13
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106298849
2-bromo-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299089
4-bromo-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299107
2-bromo-4,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299164
2-bromo-4-fluoro-N-(4-methyloxan-4-yl)benzenesulfonamide
CID 115756428
2,5-dibromo-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]benzenesulfonamide
CID 9979215
2,5-dibromo-N-(1-hydroxy-3-methylpentan-2-yl)benzenesulfonamide
CID 21078663
2-Bromo-N-(3-hydroxy-1,1-dimethylpropyl)benzenesulfonamide
CID 90313013
2,5-dibromo-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 43501905
2,5-dibromo-N-(oxan-4-yl)benzenesulfonamide
CID 54922101
2,5-dibromo-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 55210127
2,5-dibromo-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 62520333

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide (CID 106299191) is 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is O=S(=O)(NC1(CO)CCOCC1)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
The InChIKey is FWJZSROPCPPEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br2NO4S/c13-9-1-2-10(14)11(7-9)20(17,18)15-12(8-16)3-5-19-6-4-12/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide?
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide has a molecular weight of 429.13 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide is sourced from PubChem (CID 106299191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).