cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H13ClN2O4S — CID 106321577

IUPACcis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H13ClN2O4S/c14-10-3-1-9(7-15)12(6-10)21(19,20)16-11-4-2-8(5-11)13(17)18/h1,3,6,8,11,16H,2,4-5H2,(H,17,18)/t8-,11+/m1/s1
InChIKeyRETZNRZAUIYCEM-KCJUWKMLSA-N
MW328.78 g/mol
LogP1.74
Rot. Bonds4

About cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 106321577) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID106321577
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Namecis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C13H13ClN2O4S/c14-10-3-1-9(7-15)12(6-10)21(19,20)16-11-4-2-8(5-11)13(17)18/h1,3,6,8,11,16H,2,4-5H2,(H,17,18)/t8-,11+/m1/s1
InChIKeyRETZNRZAUIYCEM-KCJUWKMLSA-N
XLogP1.74
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 106321577) is cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is N#Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is RETZNRZAUIYCEM-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-10-3-1-9(7-15)12(6-10)21(19,20)16-11-4-2-8(5-11)13(17)18/h1,3,6,8,11,16H,2,4-5H2,(H,17,18)/t8-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 328.78 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(5-chloro-2-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).