4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide

C12H15BrFNO4S — CID 103834264

IUPAC4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO4S/c13-10-2-1-9(7-11(10)14)20(17,18)15-8-12(16)3-5-19-6-4-12/h1-2,7,15-16H,3-6,8H2
InChIKeyTXWZDILWDGBFDJ-UHFFFAOYSA-N
MW368.22 g/mol
LogP1.41
Rot. Bonds4

About 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide

4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide (PubChem CID 103834264) has the molecular formula C12H15BrFNO4S and a molecular weight of 368.22 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
PubChem CID103834264
Molecular FormulaC12H15BrFNO4S
Molecular Weight368.22 g/mol
Exact Mass366.99
IUPAC Name4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1(O)CCOCC1)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H15BrFNO4S/c13-10-2-1-9(7-11(10)14)20(17,18)15-8-12(16)3-5-19-6-4-12/h1-2,7,15-16H,3-6,8H2
InChIKeyTXWZDILWDGBFDJ-UHFFFAOYSA-N
XLogP1.41
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
CID 56765211
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103848081
3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 106100368
4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 103737613
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
N-[(4-hydroxyoxan-4-yl)methyl]-3-nitrobenzenesulfonamide
CID 81133465
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
4-amino-3-bromo-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123279
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-4-methylthiophene-2-sulfonamide
CID 81130918
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
4-bromo-N-(1,4-dioxan-2-ylmethyl)-3-fluorobenzenesulfonamide
CID 103697427
5-amino-4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 114625964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide (CID 103834264) is 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide is O=S(=O)(NCC1(O)CCOCC1)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is TXWZDILWDGBFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO4S/c13-10-2-1-9(7-11(10)14)20(17,18)15-8-12(16)3-5-19-6-4-12/h1-2,7,15-16H,3-6,8H2.
What are the key properties of 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 368.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103834264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).