2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid

C14H16N2O4S — CID 62961272

IUPAC2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
SMILESN#CC1CCCC1NS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H16N2O4S/c15-9-11-2-1-3-13(11)16-21(19,20)12-6-4-10(5-7-12)8-14(17)18/h4-7,11,13,16H,1-3,8H2,(H,17,18)
InChIKeyUWRWORDJIKTUCF-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid

2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid (PubChem CID 62961272) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
PubChem CID62961272
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid
SMILESN#CC1CCCC1NS(=O)(=O)c1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H16N2O4S/c15-9-11-2-1-3-13(11)16-21(19,20)12-6-4-10(5-7-12)8-14(17)18/h4-7,11,13,16H,1-3,8H2,(H,17,18)
InChIKeyUWRWORDJIKTUCF-UHFFFAOYSA-N
XLogP1.28
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2S)-2-cyanocyclopentyl]-4-methylbenzenesulfonamide
CID 101252932
2-chloro-5-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62961818
5-[(2-cyanocyclopentyl)sulfamoyl]-2-iodobenzoic acid
CID 103962487
3-chloro-4-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 115674549
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
4-(cyanomethyl)-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922414
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
2-chloro-N-(2-cyanocyclopentyl)pyridine-4-sulfonamide
CID 62962177
4-chloro-3-[(2-cyanocyclopentyl)sulfamoyl]benzoic acid
CID 62960903
N-(2-cyanocyclopentyl)-2-fluorobenzenesulfonamide
CID 62963627
sodium 2-[4-[[(1S,2R)-2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetate
CID 23699670
2-[2-[[2-[(4-chlorophenyl)sulfonylamino]cyclopentyl]methyl]phenyl]acetic acid
CID 161417428

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid (CID 62961272) is 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid is N#CC1CCCC1NS(=O)(=O)c1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid?
The InChIKey is UWRWORDJIKTUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c15-9-11-2-1-3-13(11)16-21(19,20)12-6-4-10(5-7-12)8-14(17)18/h4-7,11,13,16H,1-3,8H2,(H,17,18).
What are the key properties of 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid?
2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid has a molecular weight of 308.36 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-cyanocyclopentyl)sulfamoyl]phenyl]acetic acid is sourced from PubChem (CID 62961272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).