5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide

C11H14ClFN2O2S2 — CID 107294823

IUPAC5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCC2CCSC2)c1
InChIInChI=1S/C11H14ClFN2O2S2/c12-9-3-8(14)4-10(11(9)13)19(16,17)15-5-7-1-2-18-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyLVISTXUWDCQOMB-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.09
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide (PubChem CID 107294823) has the molecular formula C11H14ClFN2O2S2 and a molecular weight of 324.83 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
PubChem CID107294823
Molecular FormulaC11H14ClFN2O2S2
Molecular Weight324.83 g/mol
Exact Mass324.02
IUPAC Name5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(F)c(S(=O)(=O)NCC2CCSC2)c1
InChIInChI=1S/C11H14ClFN2O2S2/c12-9-3-8(14)4-10(11(9)13)19(16,17)15-5-7-1-2-18-6-7/h3-4,7,15H,1-2,5-6,14H2
InChIKeyLVISTXUWDCQOMB-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)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-3-chloro-N-(cyclopentylmethyl)-2-fluorobenzenesulfonamide
CID 43370937
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
5-amino-2,4-difluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294857
5-amino-2-ethyl-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294844
4-chloro-N-(thiolan-3-ylmethyl)pyridine-3-sulfonamide
CID 107295661
4-amino-2-cyano-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294800
6-amino-N-(thiolan-3-ylmethyl)naphthalene-1-sulfonamide
CID 107297048
5-amino-3-chloro-2-fluoro-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 43258948
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-3-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65104155
5-amino-2,3-difluoro-N-[(4-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119438
5-amino-3-chloro-2-fluoro-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106333254

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide (CID 107294823) is 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide is Nc1cc(Cl)c(F)c(S(=O)(=O)NCC2CCSC2)c1.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is LVISTXUWDCQOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S2/c12-9-3-8(14)4-10(11(9)13)19(16,17)15-5-7-1-2-18-6-7/h3-4,7,15H,1-2,5-6,14H2.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-(thiolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 107294823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).