1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid

C28H22ClNO4S — CID 59692288

IUPAC1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H22ClNO4S/c29-24-13-9-20(10-14-24)21-11-15-25(16-12-21)35(33,34)30-28(27(31)32)18-26(28)23-8-4-7-22(17-23)19-5-2-1-3-6-19/h1-17,26,30H,18H2,(H,31,32)
InChIKeyACUVDCSCPQERGL-UHFFFAOYSA-N
MW504.01 g/mol
LogP5.96
Rot. Bonds7

About 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid

1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 59692288) has the molecular formula C28H22ClNO4S and a molecular weight of 504.01 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid
PubChem CID59692288
Molecular FormulaC28H22ClNO4S
Molecular Weight504.01 g/mol
Exact Mass503.10
IUPAC Name1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1c1cccc(-c2ccccc2)c1
InChIInChI=1S/C28H22ClNO4S/c29-24-13-9-20(10-14-24)21-11-15-25(16-12-21)35(33,34)30-28(27(31)32)18-26(28)23-8-4-7-22(17-23)19-5-2-1-3-6-19/h1-17,26,30H,18H2,(H,31,32)
InChIKeyACUVDCSCPQERGL-UHFFFAOYSA-N
XLogP5.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.01
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid (CID 59692288) is 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1c1cccc(-c2ccccc2)c1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ACUVDCSCPQERGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClNO4S/c29-24-13-9-20(10-14-24)21-11-15-25(16-12-21)35(33,34)30-28(27(31)32)18-26(28)23-8-4-7-22(17-23)19-5-2-1-3-6-19/h1-17,26,30H,18H2,(H,31,32).
What are the key properties of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid?
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 504.01 g/mol, XLogP of 5.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).