2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid

C16H14FN5O4S — CID 137499672

IUPAC2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN5O4S/c17-13-5-1-11(2-6-13)10-22-20-16(19-21-22)12-3-7-14(8-4-12)27(25,26)18-9-15(23)24/h1-8,18H,9-10H2,(H,23,24)
InChIKeyWVSLJVSYZPAENR-UHFFFAOYSA-N
MW391.38 g/mol
LogP0.89
Rot. Bonds7

About 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid

2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid (PubChem CID 137499672) has the molecular formula C16H14FN5O4S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid
PubChem CID137499672
Molecular FormulaC16H14FN5O4S
Molecular Weight391.38 g/mol
Exact Mass391.08
IUPAC Name2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C16H14FN5O4S/c17-13-5-1-11(2-6-13)10-22-20-16(19-21-22)12-3-7-14(8-4-12)27(25,26)18-9-15(23)24/h1-8,18H,9-10H2,(H,23,24)
InChIKeyWVSLJVSYZPAENR-UHFFFAOYSA-N
XLogP0.89
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid?
The IUPAC name of 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid (CID 137499672) is 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid.
What is the SMILES notation for 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid?
The canonical SMILES for 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid is O=C(O)CNS(=O)(=O)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid?
The InChIKey is WVSLJVSYZPAENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O4S/c17-13-5-1-11(2-6-13)10-22-20-16(19-21-22)12-3-7-14(8-4-12)27(25,26)18-9-15(23)24/h1-8,18H,9-10H2,(H,23,24).
What are the key properties of 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid?
2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid has a molecular weight of 391.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]phenyl]sulfonylamino]acetic acid is sourced from PubChem (CID 137499672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).