2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide

C13H12ClFN2O3S — CID 114837085

IUPAC2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)ccc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-20-12-7-9(3-4-10(12)15)17-21(18,19)13-6-8(14)2-5-11(13)16/h2-7,17H,16H2,1H3
InChIKeyCUQXQMAZPKSFCO-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide

2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide (PubChem CID 114837085) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
PubChem CID114837085
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)ccc1F
InChIInChI=1S/C13H12ClFN2O3S/c1-20-12-7-9(3-4-10(12)15)17-21(18,19)13-6-8(14)2-5-11(13)16/h2-7,17H,16H2,1H3
InChIKeyCUQXQMAZPKSFCO-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 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)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

2-amino-5-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 54888841
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
2-amino-5-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
CID 107571310
N-(4-fluoro-3-methoxyphenyl)-2-hydrazinylbenzenesulfonamide
CID 114840106
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
2-amino-5-chloro-N-[4-(dimethylamino)phenyl]benzenesulfonamide
CID 60986470
2,4-dibromo-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114840621
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837099
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(4-amino-3-methoxyphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 43604990

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide (CID 114837085) is 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(Cl)ccc2N)ccc1F.
What is the InChIKey of 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is CUQXQMAZPKSFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-20-12-7-9(3-4-10(12)15)17-21(18,19)13-6-8(14)2-5-11(13)16/h2-7,17H,16H2,1H3.
What are the key properties of 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide 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 2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 114837085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).