N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

C13H12ClFN2O3S — CID 43604461

IUPACN-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)cc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-20-13-5-3-9(7-11(13)15)21(18,19)17-8-2-4-12(16)10(14)6-8/h2-7,17H,16H2,1H3
InChIKeySBUIYANLMJUYCY-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.87
Rot. Bonds4

About N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 43604461) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID43604461
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC NameN-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)cc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-20-13-5-3-9(7-11(13)15)21(18,19)17-8-2-4-12(16)10(14)6-8/h2-7,17H,16H2,1H3
InChIKeySBUIYANLMJUYCY-UHFFFAOYSA-N
XLogP2.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide 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

N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 43604461) is N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(N)c(Cl)c2)cc1F.
What is the InChIKey of N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is SBUIYANLMJUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-20-13-5-3-9(7-11(13)15)21(18,19)17-8-2-4-12(16)10(14)6-8/h2-7,17H,16H2,1H3.
What are the key properties of N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide has a molecular weight of 330.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43604461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).