6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide

C12H18ClN3O3S — CID 64602639

IUPAC6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-2-16(8-9-4-3-5-19-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyNKNIASXKEFPNOV-UHFFFAOYSA-N
MW319.81 g/mol
LogP1.51
Rot. Bonds5

About 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64602639) has the molecular formula C12H18ClN3O3S and a molecular weight of 319.81 g/mol. Its IUPAC name is 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID64602639
Molecular FormulaC12H18ClN3O3S
Molecular Weight319.81 g/mol
Exact Mass319.08
IUPAC Name6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(CC1CCCO1)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C12H18ClN3O3S/c1-2-16(8-9-4-3-5-19-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15)
InChIKeyNKNIASXKEFPNOV-UHFFFAOYSA-N
XLogP1.51
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-ethyl-6-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64606943
N-ethyl-2-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 62157823
4-amino-2,6-dibromo-N-ethyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61434089
6-amino-5-chloro-N-ethyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 64601867
5-amino-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 61433419
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
3-cyano-N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 94198707
N-ethyl-N-(oxolan-2-ylmethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 61435584
3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
4-N-[(4-ethoxyphenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189852
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-sulfonamide
CID 61435899

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide (CID 64602639) is 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide is CCN(CC1CCCO1)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is NKNIASXKEFPNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O3S/c1-2-16(8-9-4-3-5-19-9)20(17,18)10-6-11(13)12(14)15-7-10/h6-7,9H,2-5,8H2,1H3,(H2,14,15).
What are the key properties of 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 319.81 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64602639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).