5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide

C12H18ClN3O3S — CID 164635829

IUPAC5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC[C@H]2CCOC2)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-2-14-12-11(13)5-10(7-15-12)20(17,18)16-6-9-3-4-19-8-9/h5,7,9,16H,2-4,6,8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyBFJNXMAEGRCWPN-SECBINFHSA-N
MW319.81 g/mol
LogP1.48
Rot. Bonds6

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

5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide (PubChem CID 164635829) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
PubChem CID164635829
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
SMILESCCNc1ncc(S(=O)(=O)NC[C@H]2CCOC2)cc1Cl
InChIInChI=1S/C12H18ClN3O3S/c1-2-14-12-11(13)5-10(7-15-12)20(17,18)16-6-9-3-4-19-8-9/h5,7,9,16H,2-4,6,8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyBFJNXMAEGRCWPN-SECBINFHSA-N
XLogP1.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(cyclopentylmethyl)-6-(propylamino)pyridine-3-sulfonamide
CID 64606620
5-chloro-6-(ethylamino)-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64601137
6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
CID 64601682
6-amino-5-chloro-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 64602485
5-chloro-6-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-sulfonamide
CID 82735861
3-chloro-N-ethyl-5-(3-ethylmorpholin-4-yl)sulfonylpyridin-2-amine
CID 64601076
5-chloro-6-(ethylamino)pyridine-3-sulfonamide
CID 64608699
5-chloro-6-(ethylamino)-N-(2-methylcyclopentyl)pyridine-3-sulfonamide
CID 64600545
5-chloro-6-(ethylamino)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64602460
5-chloro-6-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 64606204
5-chloro-6-(ethylamino)-N-pentan-3-ylpyridine-3-sulfonamide
CID 64608495
2-(ethylamino)-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 55119396

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide (CID 164635829) is 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide is CCNc1ncc(S(=O)(=O)NC[C@H]2CCOC2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide?
The InChIKey is BFJNXMAEGRCWPN-SECBINFHSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-14-12-11(13)5-10(7-15-12)20(17,18)16-6-9-3-4-19-8-9/h5,7,9,16H,2-4,6,8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide?
5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 164635829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).