2-[(4-methylphenyl)sulfonylamino]pentanoic acid

C12H17NO4S — CID 2834096

IUPAC2-[(4-methylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-3-4-11(12(14)15)13-18(16,17)10-7-5-9(2)6-8-10/h5-8,11,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyQJJISNOGSSHKFX-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.53
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]pentanoic acid

2-[(4-methylphenyl)sulfonylamino]pentanoic acid (PubChem CID 2834096) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]pentanoic acid
PubChem CID2834096
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[(4-methylphenyl)sulfonylamino]pentanoic acid
SMILESCCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C12H17NO4S/c1-3-4-11(12(14)15)13-18(16,17)10-7-5-9(2)6-8-10/h5-8,11,13H,3-4H2,1-2H3,(H,14,15)
InChIKeyQJJISNOGSSHKFX-UHFFFAOYSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]pentanoic acid (CID 2834096) is 2-[(4-methylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]pentanoic acid is CCCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is QJJISNOGSSHKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-4-11(12(14)15)13-18(16,17)10-7-5-9(2)6-8-10/h5-8,11,13H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]pentanoic acid?
2-[(4-methylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 2834096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).