2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid

C17H17NO6S — CID 644601

IUPAC2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid
SMILESO=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
InChIKeyIQGHPUPMOUUHPP-UHFFFAOYSA-N
MW363.39 g/mol
LogP1.95
Rot. Bonds8

About 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid

2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid (PubChem CID 644601) has the molecular formula C17H17NO6S and a molecular weight of 363.39 g/mol. Its IUPAC name is 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid.

Molecular Properties

Compound Name2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid
PubChem CID644601
Molecular FormulaC17H17NO6S
Molecular Weight363.39 g/mol
Exact Mass363.08
IUPAC Name2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid
SMILESO=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22)
InChIKeyIQGHPUPMOUUHPP-UHFFFAOYSA-N
XLogP1.95
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid?
The IUPAC name of 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid (CID 644601) is 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid.
What is the SMILES notation for 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid?
The canonical SMILES for 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid is O=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid?
The InChIKey is IQGHPUPMOUUHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO6S/c19-16(20)11-10-15(17(21)22)18-25(23,24)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,15,18H,10-11H2,(H,19,20)(H,21,22).
What are the key properties of 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid?
2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid has a molecular weight of 363.39 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenylphenyl)sulfonylamino]pentanedioic acid is sourced from PubChem (CID 644601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).