3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide

C14H12F3NO4S — CID 3855211

IUPAC3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C14H12F3NO4S/c1-21-11-6-3-8(7-12(11)22-2)23(19,20)18-10-5-4-9(15)13(16)14(10)17/h3-7,18H,1-2H3
InChIKeyMIRSBWFCNOAFAD-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.92
Rot. Bonds5

About 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide

3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide (PubChem CID 3855211) has the molecular formula C14H12F3NO4S and a molecular weight of 347.31 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
PubChem CID3855211
Molecular FormulaC14H12F3NO4S
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC Name3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1OC
InChIInChI=1S/C14H12F3NO4S/c1-21-11-6-3-8(7-12(11)22-2)23(19,20)18-10-5-4-9(15)13(16)14(10)17/h3-7,18H,1-2H3
InChIKeyMIRSBWFCNOAFAD-UHFFFAOYSA-N
XLogP2.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-methylsulfonyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 110300294
N-[4-chloro-2-[(2,6-difluorophenyl)methyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 68564783
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 4847840
N-(2,3,4-trifluorophenyl)naphthalene-2-sulfonamide
CID 9464601
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
3-amino-N-(2-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28890673
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
N-(5-tert-butyl-2-methoxyphenyl)-3,4-difluorobenzenesulfonamide
CID 2106216
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-(2,3,4-trifluorophenyl)propanamide
CID 28538818
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The IUPAC name of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide (CID 3855211) is 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
The InChIKey is MIRSBWFCNOAFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S/c1-21-11-6-3-8(7-12(11)22-2)23(19,20)18-10-5-4-9(15)13(16)14(10)17/h3-7,18H,1-2H3.
What are the key properties of 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide?
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide has a molecular weight of 347.31 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide is sourced from PubChem (CID 3855211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).