2-[4-(benzenesulfonamido)phenyl]acetic acid

C14H13NO4S — CID 10446995

IUPAC2-[4-(benzenesulfonamido)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c16-14(17)10-11-6-8-12(9-7-11)15-20(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,16,17)
InChIKeyJQEHNLDJCJHUGI-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.11
Rot. Bonds5

About 2-[4-(benzenesulfonamido)phenyl]acetic acid

2-[4-(benzenesulfonamido)phenyl]acetic acid (PubChem CID 10446995) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]acetic acid
PubChem CID10446995
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-[4-(benzenesulfonamido)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H13NO4S/c16-14(17)10-11-6-8-12(9-7-11)15-20(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,16,17)
InChIKeyJQEHNLDJCJHUGI-UHFFFAOYSA-N
XLogP2.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]acetic acid?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]acetic acid (CID 10446995) is 2-[4-(benzenesulfonamido)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]acetic acid?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]acetic acid is O=C(O)Cc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]acetic acid?
The InChIKey is JQEHNLDJCJHUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-14(17)10-11-6-8-12(9-7-11)15-20(18,19)13-4-2-1-3-5-13/h1-9,15H,10H2,(H,16,17).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]acetic acid?
2-[4-(benzenesulfonamido)phenyl]acetic acid has a molecular weight of 291.33 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]acetic acid is sourced from PubChem (CID 10446995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).