5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

C12H17ClN4O3S — CID 64601137

IUPAC5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2CCC(=O)N2)cc1Cl
InChIInChI=1S/C12H17ClN4O3S/c1-2-14-12-10(13)5-9(7-15-12)21(19,20)16-6-8-3-4-11(18)17-8/h5,7-8,16H,2-4,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyOFMBYEAPNLFRSX-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.72
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide

5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 64601137) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID64601137
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NCC2CCC(=O)N2)cc1Cl
InChIInChI=1S/C12H17ClN4O3S/c1-2-14-12-10(13)5-9(7-15-12)21(19,20)16-6-8-3-4-11(18)17-8/h5,7-8,16H,2-4,6H2,1H3,(H,14,15)(H,17,18)
InChIKeyOFMBYEAPNLFRSX-UHFFFAOYSA-N
XLogP0.72
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide (CID 64601137) is 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NCC2CCC(=O)N2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is OFMBYEAPNLFRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-2-14-12-10(13)5-9(7-15-12)21(19,20)16-6-8-3-4-11(18)17-8/h5,7-8,16H,2-4,6H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64601137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).