4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid

C24H23NO5S — CID 135238751

IUPAC4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N(C2CCCC2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C24H23NO5S/c26-23-16-20(12-15-22(23)24(27)28)25(19-8-4-5-9-19)31(29,30)21-13-10-18(11-14-21)17-6-2-1-3-7-17/h1-3,6-7,10-16,19,26H,4-5,8-9H2,(H,27,28)
InChIKeyQUGKRZYOHBNPAU-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.90
Rot. Bonds6

About 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid

4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 135238751) has the molecular formula C24H23NO5S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID135238751
Molecular FormulaC24H23NO5S
Molecular Weight437.52 g/mol
Exact Mass437.13
IUPAC Name4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(N(C2CCCC2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O
InChIInChI=1S/C24H23NO5S/c26-23-16-20(12-15-22(23)24(27)28)25(19-8-4-5-9-19)31(29,30)21-13-10-18(11-14-21)17-6-2-1-3-7-17/h1-3,6-7,10-16,19,26H,4-5,8-9H2,(H,27,28)
InChIKeyQUGKRZYOHBNPAU-UHFFFAOYSA-N
XLogP4.90
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 135238751) is 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(N(C2CCCC2)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1O.
What is the InChIKey of 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is QUGKRZYOHBNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5S/c26-23-16-20(12-15-22(23)24(27)28)25(19-8-4-5-9-19)31(29,30)21-13-10-18(11-14-21)17-6-2-1-3-7-17/h1-3,6-7,10-16,19,26H,4-5,8-9H2,(H,27,28).
What are the key properties of 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid?
4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 437.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl-(4-phenylphenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 135238751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).