3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide

C14H14FNO3S — CID 19109258

IUPAC3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1F
InChIInChI=1S/C14H14FNO3S/c1-10-4-3-5-11(8-10)16-20(17,18)12-6-7-14(19-2)13(15)9-12/h3-9,16H,1-2H3
InChIKeyNMSCQTYCUAWEDT-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.94
Rot. Bonds4

About 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide

3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 19109258) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
PubChem CID19109258
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Name3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1F
InChIInChI=1S/C14H14FNO3S/c1-10-4-3-5-11(8-10)16-20(17,18)12-6-7-14(19-2)13(15)9-12/h3-9,16H,1-2H3
InChIKeyNMSCQTYCUAWEDT-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 39824147
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-fluoro-4-methoxy-N-(2-methoxy-5-methylphenyl)benzenesulfonamide
CID 39825262
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
2-methoxy-5-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 967885
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide (CID 19109258) is 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is NMSCQTYCUAWEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-10-4-3-5-11(8-10)16-20(17,18)12-6-7-14(19-2)13(15)9-12/h3-9,16H,1-2H3.
What are the key properties of 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 295.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 19109258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).