1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C22H18ClNO4S — CID 59692353

IUPAC1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1c1ccccc1
InChIInChI=1S/C22H18ClNO4S/c23-18-10-6-15(7-11-18)16-8-12-19(13-9-16)29(27,28)24-22(21(25)26)14-20(22)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,25,26)
InChIKeyRKHASFKRFZMOOJ-UHFFFAOYSA-N
MW427.91 g/mol
LogP4.30
Rot. Bonds6

About 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 59692353) has the molecular formula C22H18ClNO4S and a molecular weight of 427.91 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID59692353
Molecular FormulaC22H18ClNO4S
Molecular Weight427.91 g/mol
Exact Mass427.06
IUPAC Name1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1c1ccccc1
InChIInChI=1S/C22H18ClNO4S/c23-18-10-6-15(7-11-18)16-8-12-19(13-9-16)29(27,28)24-22(21(25)26)14-20(22)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,25,26)
InChIKeyRKHASFKRFZMOOJ-UHFFFAOYSA-N
XLogP4.30
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.91
LogP ≤ 54.30
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-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 59692353) is 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1c1ccccc1.
What is the InChIKey of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is RKHASFKRFZMOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO4S/c23-18-10-6-15(7-11-18)16-8-12-19(13-9-16)29(27,28)24-22(21(25)26)14-20(22)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,25,26).
What are the key properties of 1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 427.91 g/mol, XLogP of 4.30, 6 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-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).