2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid

C14H13FN2O4S — CID 138041125

IUPAC2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C14H13FN2O4S/c15-12-6-13(9-16-8-12)22(20,21)17-7-11-4-2-1-3-10(11)5-14(18)19/h1-4,6,8-9,17H,5,7H2,(H,18,19)
InChIKeyDOGKVXJBNPZDNT-UHFFFAOYSA-N
MW324.33 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid

2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid (PubChem CID 138041125) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
PubChem CID138041125
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC Name2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C14H13FN2O4S/c15-12-6-13(9-16-8-12)22(20,21)17-7-11-4-2-1-3-10(11)5-14(18)19/h1-4,6,8-9,17H,5,7H2,(H,18,19)
InChIKeyDOGKVXJBNPZDNT-UHFFFAOYSA-N
XLogP1.33
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]pyridine-4-carboxylic acid
CID 114324371
N-(3-amino-3-phenylpropyl)-5-fluoropyridine-3-sulfonamide
CID 80505696
1-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312114
methyl 2-chloro-3-[(5-fluoro-3-pyridinyl)sulfonylamino]propanoate
CID 103493492
4-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 56828319
5-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65034557
N-[(E)-4-chlorobut-2-enyl]-5-fluoropyridine-3-sulfonamide
CID 81429639
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-3-sulfonamide
CID 115754017
(2R)-2-[(5-fluoro-3-pyridinyl)sulfonylamino]-3-methylbutanoic acid
CID 79011040
3-bromo-2-[(5-fluoro-3-pyridinyl)sulfonylamino]benzoic acid
CID 63113303
CID 172781001
CID 172781001
N-[2-(cyclopropylamino)ethyl]-5-fluoropyridine-3-sulfonamide
CID 62664626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid (CID 138041125) is 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid?
The InChIKey is DOGKVXJBNPZDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c15-12-6-13(9-16-8-12)22(20,21)17-7-11-4-2-1-3-10(11)5-14(18)19/h1-4,6,8-9,17H,5,7H2,(H,18,19).
What are the key properties of 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid?
2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid has a molecular weight of 324.33 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(5-fluoro-3-pyridinyl)sulfonylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 138041125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).