2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide

C12H16ClN3O4S — CID 64606928

IUPAC2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(C1CCCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O4S/c13-10-5-9(6-15-12(10)18)21(19,20)16(7-11(14)17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,14,17)(H,15,18)
InChIKeyZFCXHSRHNKVRQK-UHFFFAOYSA-N
MW333.80 g/mol
LogP0.45
Rot. Bonds5

About 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide

2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide (PubChem CID 64606928) has the molecular formula C12H16ClN3O4S and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide
PubChem CID64606928
Molecular FormulaC12H16ClN3O4S
Molecular Weight333.80 g/mol
Exact Mass333.06
IUPAC Name2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide
SMILESNC(=O)CN(C1CCCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H16ClN3O4S/c13-10-5-9(6-15-12(10)18)21(19,20)16(7-11(14)17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,14,17)(H,15,18)
InChIKeyZFCXHSRHNKVRQK-UHFFFAOYSA-N
XLogP0.45
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide (CID 64606928) is 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide is NC(=O)CN(C1CCCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide?
The InChIKey is ZFCXHSRHNKVRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O4S/c13-10-5-9(6-15-12(10)18)21(19,20)16(7-11(14)17)8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,14,17)(H,15,18).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide?
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide has a molecular weight of 333.80 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl-cyclopentylamino]acetamide is sourced from PubChem (CID 64606928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).