N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide

C14H13F2NO4S — CID 22773465

IUPACN-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C14H13F2NO4S/c1-20-10-4-6-14(13(8-10)21-2)22(18,19)17-9-3-5-11(15)12(16)7-9/h3-8,17H,1-2H3
InChIKeyHFAPKFCPCGIQSU-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.78
Rot. Bonds5

About N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide

N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide (PubChem CID 22773465) has the molecular formula C14H13F2NO4S and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
PubChem CID22773465
Molecular FormulaC14H13F2NO4S
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC NameN-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C14H13F2NO4S/c1-20-10-4-6-14(13(8-10)21-2)22(18,19)17-9-3-5-11(15)12(16)7-9/h3-8,17H,1-2H3
InChIKeyHFAPKFCPCGIQSU-UHFFFAOYSA-N
XLogP2.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluoro-3-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 110776380
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
N-(3,4-difluorophenyl)-4-methoxy-2-nitrobenzenesulfonamide
CID 18148015
2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
N-(4-aminophenyl)-2,4-dimethoxybenzenesulfonamide
CID 43602608
N-(3,4-difluorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 28560651
N-[4-[(2,4-dimethoxyphenyl)sulfonylamino]phenyl]acetamide
CID 22774828
2,4-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 22773637
N-(1,3-benzodioxol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 22774071
2,3,4-trifluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide
CID 12016875
N-(1H-indol-5-yl)-2,4-dimethoxybenzenesulfonamide
CID 110730767

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide (CID 22773465) is N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide?
The InChIKey is HFAPKFCPCGIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO4S/c1-20-10-4-6-14(13(8-10)21-2)22(18,19)17-9-3-5-11(15)12(16)7-9/h3-8,17H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide?
N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide has a molecular weight of 329.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 22773465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).