N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide

C15H14FNO5S — CID 75401968

IUPACN-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C15H14FNO5S/c1-21-13-7-6-12(9-14(13)22-2)23(19,20)17-15(18)10-4-3-5-11(16)8-10/h3-9H,1-2H3,(H,17,18)
InChIKeyMAUNBOGHEVXBOI-UHFFFAOYSA-N
MW339.34 g/mol
LogP1.96
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide

N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide (PubChem CID 75401968) has the molecular formula C15H14FNO5S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
PubChem CID75401968
Molecular FormulaC15H14FNO5S
Molecular Weight339.34 g/mol
Exact Mass339.06
IUPAC NameN-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide
SMILESCOc1ccc(S(=O)(=O)NC(=O)c2cccc(F)c2)cc1OC
InChIInChI=1S/C15H14FNO5S/c1-21-13-7-6-12(9-14(13)22-2)23(19,20)17-15(18)10-4-3-5-11(16)8-10/h3-9H,1-2H3,(H,17,18)
InChIKeyMAUNBOGHEVXBOI-UHFFFAOYSA-N
XLogP1.96
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-difluorophenyl)-N-(3,4-dimethoxyphenyl)sulfonylprop-2-enamide
CID 91942457
N-(3-cyanophenyl)sulfonyl-3,4-dimethoxybenzamide
CID 71940242
3-chloro-N'-(3,4-dimethoxyphenyl)sulfonylbenzohydrazide
CID 8616663
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
N-[2-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]benzamide
CID 15294861
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylfuran-2-carboxamide
CID 56814792
N-[2-(3-fluorophenoxy)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 113099287
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]-3-fluorobenzamide
CID 113048870
N-(3,4-dimethoxyphenyl)sulfonyl-3-methylbutanamide
CID 47115056
3-fluoro-N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 26851586
3-[(3-fluorobenzoyl)amino]-4-methoxybenzoic acid
CID 28667508
N-(3-amino-4-methoxyphenyl)-3-fluorobenzamide
CID 28866814

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide (CID 75401968) is N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide is COc1ccc(S(=O)(=O)NC(=O)c2cccc(F)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide?
The InChIKey is MAUNBOGHEVXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO5S/c1-21-13-7-6-12(9-14(13)22-2)23(19,20)17-15(18)10-4-3-5-11(16)8-10/h3-9H,1-2H3,(H,17,18).
What are the key properties of N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide?
N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide has a molecular weight of 339.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)sulfonyl-3-fluorobenzamide is sourced from PubChem (CID 75401968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).