2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid

C14H19FN2O5S — CID 166292995

IUPAC2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCOc1cc(F)c(C(=O)O)cc1NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H19FN2O5S/c1-9-4-3-5-17(8-9)23(20,21)16-12-6-10(14(18)19)11(15)7-13(12)22-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyMTFTUDFSZSFZGP-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.92
Rot. Bonds5

About 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid

2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid (PubChem CID 166292995) has the molecular formula C14H19FN2O5S and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
PubChem CID166292995
Molecular FormulaC14H19FN2O5S
Molecular Weight346.38 g/mol
Exact Mass346.10
IUPAC Name2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
SMILESCOc1cc(F)c(C(=O)O)cc1NS(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C14H19FN2O5S/c1-9-4-3-5-17(8-9)23(20,21)16-12-6-10(14(18)19)11(15)7-13(12)22-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,18,19)
InChIKeyMTFTUDFSZSFZGP-UHFFFAOYSA-N
XLogP1.92
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-1-sulfonamide
CID 107640819
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-fluoro-5-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 15992744
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529
5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63154396
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(5-amino-2-bromo-4-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 104814631
3,5-dimethoxy-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 17311561
2-methoxy-5-[(3S)-3-methylpiperidin-1-yl]sulfonyl-N-propylbenzamide
CID 27260668
2-fluoro-5-methoxy-4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]benzoic acid
CID 167886681
N-(4-chloro-2,5-dimethoxyphenyl)pyrrolidine-1-sulfonamide
CID 110705880
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid (CID 166292995) is 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid is COc1cc(F)c(C(=O)O)cc1NS(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
The InChIKey is MTFTUDFSZSFZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O5S/c1-9-4-3-5-17(8-9)23(20,21)16-12-6-10(14(18)19)11(15)7-13(12)22-2/h6-7,9,16H,3-5,8H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid?
2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid has a molecular weight of 346.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methoxy-5-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 166292995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).