trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C22H18ClNO4S — CID 11201179

IUPACtrans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1c1ccccc1
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)/t20-,22+/m1/s1
InChIKeyRKHASFKRFZMOOJ-IRLDBZIGSA-N
MW427.91 g/mol
LogP4.30
Rot. Bonds6

About trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 11201179) has the molecular formula C22H18ClNO4S and a molecular weight of 427.91 g/mol. Its IUPAC name is trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID11201179
Molecular FormulaC22H18ClNO4S
Molecular Weight427.91 g/mol
Exact Mass427.06
IUPAC Nametrans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1c1ccccc1
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)/t20-,22+/m1/s1
InChIKeyRKHASFKRFZMOOJ-IRLDBZIGSA-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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Related Compounds

3-[3-Benzyl-5-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 44305299
(1R,2S)-1-(4''-chlorobiphenyl-4-ylsulfonamido)-2-phenylcyclopropanecarboxylic acid
CID 46882594
(1S,2R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonamido)-2-phenylcyclopropanecarboxylic acid
CID 46882632
(1S,2R,3R)-1-(5-(4-chlorophenyl)thiophene-2-sulfonamido)-2-methyl-3-phenylcyclopropanecarboxylic acid
CID 46882679
(2R)-2-{[4-(4-chlorophenyl)benzene]sulfonamido}-3-phenylpropanoic acid
CID 25263183
(2R)-2-{[4-(4-chlorophenyl)benzene](methyl)sulfonamido}-3-phenylpropanoic acid
CID 25263184
(2R)-2-{[4-(4-chlorophenyl)benzene](2-phenylethyl)sulfonamido}-3-phenylpropanoic acid
CID 25263189
trans-Rac-1-(5-(4-chlorophenyl)thiophene-2-sulfonamido)-2-methyl-3-phenylcyclopropanecarboxylic acid
CID 46882680
3-(4-Chlorophenyl)-2-{[(4-methylphenyl)sulfonyl]amino}propanoic acid
CID 2766962
((4'-Chloro-[1,1'-biphenyl]-4-yl)sulfonyl)phenylalanine
CID 44323170
(2S)-2-{[4-(4-chlorophenyl)benzene](methyl)sulfonamido}-3-phenylpropanoic acid
CID 25263185
(2R)-2-{[4-(4-chlorophenyl)benzene](cyclopropylmethyl)sulfonamido}-3-phenylpropanoic acid
CID 25263186

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 11201179) is trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is RKHASFKRFZMOOJ-IRLDBZIGSA-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)/t20-,22+/m1/s1.
What are the key properties of trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2R)-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 trans-(1S,2R)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 11201179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).