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

C13H12ClFN2O3S — CID 61112072

IUPAC5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1
InChIInChI=1S/C13H12ClFN2O3S/c1-20-9-4-2-3-8(5-9)17-21(18,19)13-7-12(16)11(15)6-10(13)14/h2-7,17H,16H2,1H3
InChIKeyBXJDUBGPXOJGST-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.87
Rot. Bonds4

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

5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 61112072) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID61112072
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1
InChIInChI=1S/C13H12ClFN2O3S/c1-20-9-4-2-3-8(5-9)17-21(18,19)13-7-12(16)11(15)6-10(13)14/h2-7,17H,16H2,1H3
InChIKeyBXJDUBGPXOJGST-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'}

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Related Compounds

5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-2-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 29042708
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 82843846
3-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
5-amino-2-chloro-N-(2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 61110957
N-(3-methoxyphenyl)-2-[2-[(3-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 122220853
5-amino-2-chloro-4-fluoro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587500
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
5-amino-2-chloro-N-(4-cyanophenyl)-4-fluorobenzenesulfonamide
CID 61111884
5-amino-2-chloro-N-(2-ethylphenyl)-4-fluorobenzenesulfonamide
CID 61112458

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide (CID 61112072) is 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2cc(N)c(F)cc2Cl)c1.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is BXJDUBGPXOJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-20-9-4-2-3-8(5-9)17-21(18,19)13-7-12(16)11(15)6-10(13)14/h2-7,17H,16H2,1H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-(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 5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 61112072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).