3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide

C12H16ClFN2O4S — CID 103051842

IUPAC3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2(O)CCOCC2)c1F
InChIInChI=1S/C12H16ClFN2O4S/c13-8-5-9(15)11(14)10(6-8)21(18,19)16-7-12(17)1-3-20-4-2-12/h5-6,16-17H,1-4,7,15H2
InChIKeyRATZKQOHRQCQOW-UHFFFAOYSA-N
MW338.79 g/mol
LogP0.88
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide (PubChem CID 103051842) has the molecular formula C12H16ClFN2O4S and a molecular weight of 338.79 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
PubChem CID103051842
Molecular FormulaC12H16ClFN2O4S
Molecular Weight338.79 g/mol
Exact Mass338.05
IUPAC Name3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NCC2(O)CCOCC2)c1F
InChIInChI=1S/C12H16ClFN2O4S/c13-8-5-9(15)11(14)10(6-8)21(18,19)16-7-12(17)1-3-20-4-2-12/h5-6,16-17H,1-4,7,15H2
InChIKeyRATZKQOHRQCQOW-UHFFFAOYSA-N
XLogP0.88
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-2-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

5-amino-4-bromo-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylbenzenesulfonamide
CID 114625964
2,4-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-5-methylbenzenesulfonamide
CID 56765216
3-amino-4-bromo-5-chloro-2-fluoro-N-[(1-hydroxycyclobutyl)methyl]benzenesulfonamide
CID 103077726
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
3,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848049
2-chloro-4-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848197
5-chloro-2-cyano-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 103848172
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 103051755
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
4-amino-2,6-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzenesulfonamide
CID 106099213

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide (CID 103051842) is 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NCC2(O)CCOCC2)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
The InChIKey is RATZKQOHRQCQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O4S/c13-8-5-9(15)11(14)10(6-8)21(18,19)16-7-12(17)1-3-20-4-2-12/h5-6,16-17H,1-4,7,15H2.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide has a molecular weight of 338.79 g/mol, XLogP of 0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 103051842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).