1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid

C22H20ClNO5S2 — CID 59692852

IUPAC1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1(CCO)c1ccccc1
InChIInChI=1S/C22H20ClNO5S2/c23-17-8-6-15(7-9-17)18-10-11-19(30-18)31(28,29)24-22(20(26)27)14-21(22,12-13-25)16-4-2-1-3-5-16/h1-11,24-25H,12-14H2,(H,26,27)
InChIKeyAHRZXADWUTVFSO-UHFFFAOYSA-N
MW477.99 g/mol
LogP3.89
Rot. Bonds8

About 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid

1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 59692852) has the molecular formula C22H20ClNO5S2 and a molecular weight of 477.99 g/mol. Its IUPAC name is 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid
PubChem CID59692852
Molecular FormulaC22H20ClNO5S2
Molecular Weight477.99 g/mol
Exact Mass477.05
IUPAC Name1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1(CCO)c1ccccc1
InChIInChI=1S/C22H20ClNO5S2/c23-17-8-6-15(7-9-17)18-10-11-19(30-18)31(28,29)24-22(20(26)27)14-21(22,12-13-25)16-4-2-1-3-5-16/h1-11,24-25H,12-14H2,(H,26,27)
InChIKeyAHRZXADWUTVFSO-UHFFFAOYSA-N
XLogP3.89
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.99
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1R,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethoxymethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 67526048
cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid
CID 67524752
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(methoxymethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 59692722
(2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(methoxymethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 69460969
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-phenyl-2-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid
CID 59692344
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(methylsulfinylmethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 70333745
(2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-phenyl-2-(3-pyrazol-1-ylpropyl)cyclopropane-1-carboxylic acid
CID 69460349
trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 46882678
cis-tert-butyl (1R,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(hydroxymethyl)-2-phenylcyclopropane-1-carboxylate
CID 67525167
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-phenyl-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59692500
trans-(1S,2R)-1-[[5-(3,5-dichlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 59692726
trans-(1S,2R)-1-[[5-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 59692563

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid (CID 59692852) is 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1(CCO)c1ccccc1.
What is the InChIKey of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is AHRZXADWUTVFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO5S2/c23-17-8-6-15(7-9-17)18-10-11-19(30-18)31(28,29)24-22(20(26)27)14-21(22,12-13-25)16-4-2-1-3-5-16/h1-11,24-25H,12-14H2,(H,26,27).
What are the key properties of 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid?
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 477.99 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 59692852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).