N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide

C13H10F3NO3S — CID 28560651

IUPACN-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F3NO3S/c1-20-12-5-2-8(14)6-13(12)21(18,19)17-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyDZVYLKFFCQZJFV-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.91
Rot. Bonds4

About N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide

N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide (PubChem CID 28560651) has the molecular formula C13H10F3NO3S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
PubChem CID28560651
Molecular FormulaC13H10F3NO3S
Molecular Weight317.29 g/mol
Exact Mass317.03
IUPAC NameN-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C13H10F3NO3S/c1-20-12-5-2-8(14)6-13(12)21(18,19)17-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3
InChIKeyDZVYLKFFCQZJFV-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 41446937
5-fluoro-2-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 17018087
2-[3-[(3,4-difluorophenyl)sulfamoyl]-4-methoxyphenyl]acetic acid
CID 47060127
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
CID 22773465
4-[(5-fluoro-2-methoxyphenyl)sulfonylamino]benzoate
CID 7312195
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
5-chloro-N-(3,4-dimethoxyphenyl)-2-methoxybenzenesulfonamide
CID 3706982
N-(5-chloro-2-pyridinyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 6473185
N-(4-fluorophenyl)-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 850026
N-(4-ethoxy-3-fluorophenyl)-2-methoxybenzenesulfonamide
CID 60533583
2,5-difluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 174398149

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide (CID 28560651) is N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
The InChIKey is DZVYLKFFCQZJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO3S/c1-20-12-5-2-8(14)6-13(12)21(18,19)17-9-3-4-10(15)11(16)7-9/h2-7,17H,1H3.
What are the key properties of N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide?
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide has a molecular weight of 317.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide is sourced from PubChem (CID 28560651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).