5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide

C13H19FN2O4S — CID 106296774

IUPAC5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NC2(CO)CCOCC2)cc1N
InChIInChI=1S/C13H19FN2O4S/c1-9-6-10(14)12(7-11(9)15)21(18,19)16-13(8-17)2-4-20-5-3-13/h6-7,16-17H,2-5,8,15H2,1H3
InChIKeyWGHDXXKIIWVUEX-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.54
Rot. Bonds4

About 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide

5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide (PubChem CID 106296774) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
PubChem CID106296774
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide
SMILESCc1cc(F)c(S(=O)(=O)NC2(CO)CCOCC2)cc1N
InChIInChI=1S/C13H19FN2O4S/c1-9-6-10(14)12(7-11(9)15)21(18,19)16-13(8-17)2-4-20-5-3-13/h6-7,16-17H,2-5,8,15H2,1H3
InChIKeyWGHDXXKIIWVUEX-UHFFFAOYSA-N
XLogP0.54
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide 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

3-amino-4-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzenesulfonamide
CID 106296764
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]-4,5-dimethylbenzenesulfonamide
CID 106296708
N-[4-(hydroxymethyl)oxan-4-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 106298861
2,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299191
5-amino-2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 104758588
4-amino-2,6-dichloro-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106296782
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
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
5-amino-2-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzenesulfonamide
CID 106099373
2,4-difluoro-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902822
3-amino-N-[1-(hydroxymethyl)cyclopentyl]-2,5-dimethylbenzenesulfonamide
CID 79889496

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide (CID 106296774) is 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide is Cc1cc(F)c(S(=O)(=O)NC2(CO)CCOCC2)cc1N.
What is the InChIKey of 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide?
The InChIKey is WGHDXXKIIWVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-9-6-10(14)12(7-11(9)15)21(18,19)16-13(8-17)2-4-20-5-3-13/h6-7,16-17H,2-5,8,15H2,1H3.
What are the key properties of 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide?
5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 106296774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).