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

C30H24ClNO6S — CID 11330469

IUPAC1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)CN(C1(C(=O)O)CC1c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClNO6S/c31-25-14-10-22(11-15-25)23-12-16-26(17-13-23)39(37,38)32(19-28(33)34)30(29(35)36)18-27(30)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-17,27H,18-19H2,(H,33,34)(H,35,36)
InChIKeyFSRXSTPZOLPZCV-UHFFFAOYSA-N
MW562.04 g/mol
LogP5.76
Rot. Bonds9

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

1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 11330469) has the molecular formula C30H24ClNO6S and a molecular weight of 562.04 g/mol. Its IUPAC name is 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid
PubChem CID11330469
Molecular FormulaC30H24ClNO6S
Molecular Weight562.04 g/mol
Exact Mass561.10
IUPAC Name1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)CN(C1(C(=O)O)CC1c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C30H24ClNO6S/c31-25-14-10-22(11-15-25)23-12-16-26(17-13-23)39(37,38)32(19-28(33)34)30(29(35)36)18-27(30)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-17,27H,18-19H2,(H,33,34)(H,35,36)
InChIKeyFSRXSTPZOLPZCV-UHFFFAOYSA-N
XLogP5.76
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.04
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid (CID 11330469) is 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid is O=C(O)CN(C1(C(=O)O)CC1c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FSRXSTPZOLPZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClNO6S/c31-25-14-10-22(11-15-25)23-12-16-26(17-13-23)39(37,38)32(19-28(33)34)30(29(35)36)18-27(30)24-8-6-21(7-9-24)20-4-2-1-3-5-20/h1-17,27H,18-19H2,(H,33,34)(H,35,36).
What are the key properties of 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid?
1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 562.04 g/mol, XLogP of 5.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[carboxymethyl-[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(4-phenylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 11330469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).