trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

C21H18ClNO4S2 — CID 46882678

IUPACtrans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
InChIInChI=1S/C21H18ClNO4S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-12,23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1
InChIKeyGEQMZNSGLWFPPU-NHCUHLMSSA-N
MW447.97 g/mol
LogP4.53
Rot. Bonds6

About trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid

trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 46882678) has the molecular formula C21H18ClNO4S2 and a molecular weight of 447.97 g/mol. Its IUPAC name is trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
PubChem CID46882678
Molecular FormulaC21H18ClNO4S2
Molecular Weight447.97 g/mol
Exact Mass447.04
IUPAC Nametrans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
SMILESC[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O
InChIInChI=1S/C21H18ClNO4S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-12,23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1
InChIKeyGEQMZNSGLWFPPU-NHCUHLMSSA-N
XLogP4.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-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

Related Compounds

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
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-chloro-4-methoxyphenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 59692996
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-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 59692852
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(methylsulfinylmethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 70333745
1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-phenyl-2-(propan-2-ylsulfonylmethyl)cyclopropane-1-carboxylic acid
CID 59692344
cis-(1R,2S)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(3-methoxypropyl)-2-phenylcyclopropane-1-carboxylic acid
CID 67524752
cis-(1R,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-(2-hydroxyethoxymethyl)-2-phenylcyclopropane-1-carboxylic acid
CID 67526048
trans-(1S,2R)-2-(4-chlorophenyl)-2-methyl-1-[[5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]sulfonylamino]cyclopropane-1-carboxylic acid
CID 59692767

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid (CID 46882678) is trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid is C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O.
What is the InChIKey of trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is GEQMZNSGLWFPPU-NHCUHLMSSA-N. The full InChI is InChI=1S/C21H18ClNO4S2/c1-20(15-5-3-2-4-6-15)13-21(20,19(24)25)23-29(26,27)18-12-11-17(28-18)14-7-9-16(22)10-8-14/h2-12,23H,13H2,1H3,(H,24,25)/t20-,21-/m1/s1.
What are the key properties of trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid?
trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 447.97 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-[[5-(4-chlorophenyl)thiophen-2-yl]sulfonylamino]-2-methyl-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 46882678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).