2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid

C19H17NO4S — CID 10808105

IUPAC2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4S/c21-19(22)14-20(13-15-6-2-1-3-7-15)25(23,24)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,22)
InChIKeyCLYFNRLWCJEPPI-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.12
Rot. Bonds6

About 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid

2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid (PubChem CID 10808105) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid
PubChem CID10808105
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1
InChIInChI=1S/C19H17NO4S/c21-19(22)14-20(13-15-6-2-1-3-7-15)25(23,24)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,22)
InChIKeyCLYFNRLWCJEPPI-UHFFFAOYSA-N
XLogP3.12
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid (CID 10808105) is 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid is O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
The InChIKey is CLYFNRLWCJEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c21-19(22)14-20(13-15-6-2-1-3-7-15)25(23,24)18-11-10-16-8-4-5-9-17(16)12-18/h1-12H,13-14H2,(H,21,22).
What are the key properties of 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid?
2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid has a molecular weight of 355.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(naphthalen-2-ylsulfonyl)amino]acetic acid is sourced from PubChem (CID 10808105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).