3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid

C16H15FN2O6S — CID 24656737

IUPAC3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C16H15FN2O6S/c1-9(20)18-13-8-11(4-5-12(13)17)19-26(23,24)15-7-10(16(21)22)3-6-14(15)25-2/h3-8,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeyJHEAJNBKIZAXEF-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.29
Rot. Bonds6

About 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid

3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid (PubChem CID 24656737) has the molecular formula C16H15FN2O6S and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
PubChem CID24656737
Molecular FormulaC16H15FN2O6S
Molecular Weight382.37 g/mol
Exact Mass382.06
IUPAC Name3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C16H15FN2O6S/c1-9(20)18-13-8-11(4-5-12(13)17)19-26(23,24)15-7-10(16(21)22)3-6-14(15)25-2/h3-8,19H,1-2H3,(H,18,20)(H,21,22)
InChIKeyJHEAJNBKIZAXEF-UHFFFAOYSA-N
XLogP2.29
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-bromo-4,5-dimethoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 30668145
N-[2-fluoro-5-[(4-methoxy-2,5-dimethylphenyl)sulfonylamino]phenyl]acetamide
CID 87026681
N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-methoxy-3-[[4-methoxy-3-(2-methoxyethoxy)phenyl]sulfamoyl]benzoic acid
CID 55624724
4-methoxy-3-[[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoic acid
CID 4005118
methyl 3-[(3,4-dimethoxyphenyl)sulfamoyl]-4-fluorobenzoate
CID 47946553
N-[2-fluoro-5-[(4-methoxyphenyl)sulfonylamino]phenyl]acetamide
CID 46603660
N-[5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 31814804
3-[(3,4-dimethoxyphenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 56809084

Frequently Asked Questions

What is the IUPAC name of 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid (CID 24656737) is 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is JHEAJNBKIZAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O6S/c1-9(20)18-13-8-11(4-5-12(13)17)19-26(23,24)15-7-10(16(21)22)3-6-14(15)25-2/h3-8,19H,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid?
3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid has a molecular weight of 382.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-acetamido-4-fluorophenyl)sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 24656737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).