2-[(4-methoxyphenyl)sulfonylamino]acetic acid

C9H11NO5S — CID 705710

IUPAC2-[(4-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H11NO5S/c1-15-7-2-4-8(5-3-7)16(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyYMPHCYPWPATWRU-UHFFFAOYSA-N
MW245.26 g/mol
LogP0.06
Rot. Bonds5

About 2-[(4-methoxyphenyl)sulfonylamino]acetic acid

2-[(4-methoxyphenyl)sulfonylamino]acetic acid (PubChem CID 705710) has the molecular formula C9H11NO5S and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)sulfonylamino]acetic acid
PubChem CID705710
Molecular FormulaC9H11NO5S
Molecular Weight245.26 g/mol
Exact Mass245.04
IUPAC Name2-[(4-methoxyphenyl)sulfonylamino]acetic acid
SMILESCOc1ccc(S(=O)(=O)NCC(=O)O)cc1
InChIInChI=1S/C9H11NO5S/c1-15-7-2-4-8(5-3-7)16(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChIKeyYMPHCYPWPATWRU-UHFFFAOYSA-N
XLogP0.06
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(4-methoxyphenyl)sulfonylamino]acetic acid (CID 705710) is 2-[(4-methoxyphenyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(4-methoxyphenyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(4-methoxyphenyl)sulfonylamino]acetic acid is COc1ccc(S(=O)(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)sulfonylamino]acetic acid?
The InChIKey is YMPHCYPWPATWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S/c1-15-7-2-4-8(5-3-7)16(13,14)10-6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12).
What are the key properties of 2-[(4-methoxyphenyl)sulfonylamino]acetic acid?
2-[(4-methoxyphenyl)sulfonylamino]acetic acid has a molecular weight of 245.26 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)sulfonylamino]acetic acid is sourced from PubChem (CID 705710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).