N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide

C13H12F2N2O3S — CID 43344398

IUPACN-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O3S/c1-20-12-5-3-9(16)7-11(12)17-21(18,19)13-6-8(14)2-4-10(13)15/h2-7,17H,16H2,1H3
InChIKeyNRVVJTDSXMSBJK-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.36
Rot. Bonds4

About N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide

N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide (PubChem CID 43344398) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
PubChem CID43344398
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC NameN-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide
SMILESCOc1ccc(N)cc1NS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O3S/c1-20-12-5-3-9(16)7-11(12)17-21(18,19)13-6-8(14)2-4-10(13)15/h2-7,17H,16H2,1H3
InChIKeyNRVVJTDSXMSBJK-UHFFFAOYSA-N
XLogP2.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.36
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-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 43255479
N-(5-amino-2-fluorophenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 43604964
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-(5-amino-2-methoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 28941062
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(5-amino-2-methoxyphenyl)-3,4-dimethylbenzenesulfonamide
CID 28941375
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
3-[(2,5-difluorophenyl)sulfonylmethyl]-4-methoxyaniline
CID 43519114
2,5-difluoro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 29099021
N-(5-chloro-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 2696930
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide (CID 43344398) is N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide is COc1ccc(N)cc1NS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is NRVVJTDSXMSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-20-12-5-3-9(16)7-11(12)17-21(18,19)13-6-8(14)2-4-10(13)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide?
N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methoxyphenyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 43344398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).