2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid

C12H15ClN2O4S — CID 60828632

IUPAC2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-12-10(6-3-7-14-12)20(18,19)15(8-11(16)17)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyTYXXSJHDKRDYIZ-UHFFFAOYSA-N
MW318.78 g/mol
LogP1.75
Rot. Bonds5

About 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid

2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid (PubChem CID 60828632) has the molecular formula C12H15ClN2O4S and a molecular weight of 318.78 g/mol. Its IUPAC name is 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
PubChem CID60828632
Molecular FormulaC12H15ClN2O4S
Molecular Weight318.78 g/mol
Exact Mass318.04
IUPAC Name2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H15ClN2O4S/c13-12-10(6-3-7-14-12)20(18,19)15(8-11(16)17)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17)
InChIKeyTYXXSJHDKRDYIZ-UHFFFAOYSA-N
XLogP1.75
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.78
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopropylamino]acetate
CID 61045378
2-[(2-chloro-3-pyridinyl)sulfonyl-(cyclopropylmethyl)amino]acetic acid
CID 43656189
2-[(4-chloro-2-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829623
2-[(2-chloro-4-fluorophenyl)sulfonyl-cyclopentylamino]acetic acid
CID 60829976
2-chloro-N-cyclopropyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 61042316
2-[cyclopentyl(2-pyridin-2-ylethylsulfonyl)amino]acetic acid
CID 60864750
2-[(2-chloro-3-pyridinyl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257826
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
2-chloro-N-(2-cyanopropan-2-yl)-N-cyclopropylpyridine-3-sulfonamide
CID 61215503
2-chloro-N-(cyclobutylmethyl)-N-ethylpyridine-3-sulfonamide
CID 107398331
2-chloro-N-methyl-N-(2-methylcyclohexyl)pyridine-3-sulfonamide
CID 61046113
3-[cyclopentyl(2-hydroxyethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596988

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid?
The IUPAC name of 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid (CID 60828632) is 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid?
The canonical SMILES for 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid is O=C(O)CN(C1CCCC1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid?
The InChIKey is TYXXSJHDKRDYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4S/c13-12-10(6-3-7-14-12)20(18,19)15(8-11(16)17)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,17).
What are the key properties of 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid?
2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid has a molecular weight of 318.78 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-pyridinyl)sulfonyl-cyclopentylamino]acetic acid is sourced from PubChem (CID 60828632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).