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

C13H14N2O4S — CID 106321518

IUPACcis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C13H14N2O4S/c14-8-9-2-1-3-12(6-9)20(18,19)15-11-5-4-10(7-11)13(16)17/h1-3,6,10-11,15H,4-5,7H2,(H,16,17)/t10-,11+/m1/s1
InChIKeyIKKSYASIDUODNG-MNOVXSKESA-N
MW294.33 g/mol
LogP1.09
Rot. Bonds4

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

cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 106321518) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID106321518
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Namecis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C13H14N2O4S/c14-8-9-2-1-3-12(6-9)20(18,19)15-11-5-4-10(7-11)13(16)17/h1-3,6,10-11,15H,4-5,7H2,(H,16,17)/t10-,11+/m1/s1
InChIKeyIKKSYASIDUODNG-MNOVXSKESA-N
XLogP1.09
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-[(5-cyano-2-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321633
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-cyano-N-[4-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 24651396
3-cyano-N-(2-cyclopropyl-2-oxoethyl)benzenesulfonamide
CID 75399111
cis-(1R,3S)-3-[(6-cyano-3-pyridinyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 106321509
4-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60808567
4-[(3-bromophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 60809051
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-(benzenesulfonamido)cyclohexane-1-carboxylic acid
CID 55145960
3-[(4-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylic acid
CID 66031561
3-[(4-iodophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 66030163

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 106321518) is cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is N#Cc1cccc(S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is IKKSYASIDUODNG-MNOVXSKESA-N. The full InChI is InChI=1S/C13H14N2O4S/c14-8-9-2-1-3-12(6-9)20(18,19)15-11-5-4-10(7-11)13(16)17/h1-3,6,10-11,15H,4-5,7H2,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 1.09, 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-[(3-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).