trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

C22H19NO5S — CID 67526537

IUPACtrans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(NS(=O)(=O)c2cccc(Oc3ccccc3)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H19NO5S/c24-21(25)22(15-20(22)16-8-3-1-4-9-16)23-29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14,20,23H,15H2,(H,24,25)/t20-,22+/m0/s1
InChIKeyOQTQZLVYJMSDKV-RBBKRZOGSA-N
MW409.46 g/mol
LogP3.77
Rot. Bonds7

About trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid

trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 67526537) has the molecular formula C22H19NO5S and a molecular weight of 409.46 g/mol. Its IUPAC name is trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
PubChem CID67526537
Molecular FormulaC22H19NO5S
Molecular Weight409.46 g/mol
Exact Mass409.10
IUPAC Nametrans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@]1(NS(=O)(=O)c2cccc(Oc3ccccc3)c2)C[C@H]1c1ccccc1
InChIInChI=1S/C22H19NO5S/c24-21(25)22(15-20(22)16-8-3-1-4-9-16)23-29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14,20,23H,15H2,(H,24,25)/t20-,22+/m0/s1
InChIKeyOQTQZLVYJMSDKV-RBBKRZOGSA-N
XLogP3.77
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-pyridin-3-yloxyphenyl)cyclopropane-1-carboxylic acid
CID 69317417
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692353
trans-(1R,2S)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 46882594
1-[(7-fluoro-9H-fluoren-2-yl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 59692799
1-[[4-(2,3-dihydrothiophen-2-yl)phenyl]sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 70334164
1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-(3-phenylphenyl)cyclopropane-1-carboxylic acid
CID 59692288
2-[3-(carboxymethoxy)phenyl]-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 59692429
1-[(2-methoxy-5-methylphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 84563243
1-[(2-nitrophenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid
CID 110504585
trans-(1S,2R)-1-(benzylamino)-2-phenylcyclopropane-1-carboxylic acid
CID 89498617
trans-(1R,2S)-1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]-2-[3-(pyridin-3-ylmethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 67524499
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid (CID 67526537) is trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is O=C(O)[C@@]1(NS(=O)(=O)c2cccc(Oc3ccccc3)c2)C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is OQTQZLVYJMSDKV-RBBKRZOGSA-N. The full InChI is InChI=1S/C22H19NO5S/c24-21(25)22(15-20(22)16-8-3-1-4-9-16)23-29(26,27)19-13-7-12-18(14-19)28-17-10-5-2-6-11-17/h1-14,20,23H,15H2,(H,24,25)/t20-,22+/m0/s1.
What are the key properties of trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid?
trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 409.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-[(3-phenoxyphenyl)sulfonylamino]-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67526537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).