3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

C14H20ClFN2O2S — CID 103051755

IUPAC3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2cc(Cl)cc(N)c2F)C1(C)C
InChIInChI=1S/C14H20ClFN2O2S/c1-13(2)11(14(13,3)4)7-18-21(19,20)10-6-8(15)5-9(17)12(10)16/h5-6,11,18H,7,17H2,1-4H3
InChIKeyUSHKHPNZRKGEDJ-UHFFFAOYSA-N
MW334.84 g/mol
LogP3.02
Rot. Bonds4

About 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103051755) has the molecular formula C14H20ClFN2O2S and a molecular weight of 334.84 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103051755
Molecular FormulaC14H20ClFN2O2S
Molecular Weight334.84 g/mol
Exact Mass334.09
IUPAC Name3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
SMILESCC1(C)C(CNS(=O)(=O)c2cc(Cl)cc(N)c2F)C1(C)C
InChIInChI=1S/C14H20ClFN2O2S/c1-13(2)11(14(13,3)4)7-18-21(19,20)10-6-8(15)5-9(17)12(10)16/h5-6,11,18H,7,17H2,1-4H3
InChIKeyUSHKHPNZRKGEDJ-UHFFFAOYSA-N
XLogP3.02
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.84
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)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

3-amino-5-chloro-2-fluoro-N-(thiolan-2-ylmethyl)benzenesulfonamide
CID 103051825
3-amino-5-chloro-2-fluoro-N-[(2-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103051627
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733
3-amino-5-chloro-2-fluoro-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 103051252
3-amino-5-chloro-2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
CID 103050568
3-amino-5-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 103051563
3-amino-5-chloro-2-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103052244
3-[(3-amino-5-chloro-2-fluorophenyl)sulfonylamino]-N-ethylpropanamide
CID 103052007
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
3-amino-5-chloro-2-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzenesulfonamide
CID 103051842

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide (CID 103051755) is 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is CC1(C)C(CNS(=O)(=O)c2cc(Cl)cc(N)c2F)C1(C)C.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is USHKHPNZRKGEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O2S/c1-13(2)11(14(13,3)4)7-18-21(19,20)10-6-8(15)5-9(17)12(10)16/h5-6,11,18H,7,17H2,1-4H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 334.84 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103051755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).