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

C10H12ClN3O4S — CID 64608248

IUPAC1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H12ClN3O4S/c11-7-4-6(5-13-10(7)16)19(17,18)14-3-1-2-8(14)9(12)15/h4-5,8H,1-3H2,(H2,12,15)(H,13,16)
InChIKeyOLDXTGSVWVYKJT-UHFFFAOYSA-N
MW305.74 g/mol
LogP-0.33
Rot. Bonds3

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

1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide (PubChem CID 64608248) has the molecular formula C10H12ClN3O4S and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
PubChem CID64608248
Molecular FormulaC10H12ClN3O4S
Molecular Weight305.74 g/mol
Exact Mass305.02
IUPAC Name1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H12ClN3O4S/c11-7-4-6(5-13-10(7)16)19(17,18)14-3-1-2-8(14)9(12)15/h4-5,8H,1-3H2,(H2,12,15)(H,13,16)
InChIKeyOLDXTGSVWVYKJT-UHFFFAOYSA-N
XLogP-0.33
TPSA113.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64607507
3-chloro-5-(4-methylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64608867
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
3-chloro-5-(4-ethylazepan-1-yl)sulfonyl-1H-pyridin-2-one
CID 64609062
3-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-1H-pyridin-2-one
CID 64606339
methyl 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]piperidine-4-carboxylate
CID 64607854
4-[(2R)-2-carbamoylpyrrolidin-1-yl]sulfonyl-3-chlorobenzoic acid
CID 146131026
3-chloro-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64608278
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 99856807
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
3-chloro-5-(3-methylmorpholin-4-yl)sulfonyl-1H-pyridin-2-one
CID 64606726

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide (CID 64608248) is 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is OLDXTGSVWVYKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O4S/c11-7-4-6(5-13-10(7)16)19(17,18)14-3-1-2-8(14)9(12)15/h4-5,8H,1-3H2,(H2,12,15)(H,13,16).
What are the key properties of 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide?
1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 305.74 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 64608248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).