6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide

C11H16ClN3O3S — CID 64601682

IUPAC6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC2CCCOC2)cc1Cl
InChIInChI=1S/C11H16ClN3O3S/c12-10-4-9(6-14-11(10)13)19(16,17)15-5-8-2-1-3-18-7-8/h4,6,8,15H,1-3,5,7H2,(H2,13,14)
InChIKeyKXEUOQMMTHIHLJ-UHFFFAOYSA-N
MW305.79 g/mol
LogP1.02
Rot. Bonds4

About 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 64601682) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID64601682
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide
SMILESNc1ncc(S(=O)(=O)NCC2CCCOC2)cc1Cl
InChIInChI=1S/C11H16ClN3O3S/c12-10-4-9(6-14-11(10)13)19(16,17)15-5-8-2-1-3-18-7-8/h4,6,8,15H,1-3,5,7H2,(H2,13,14)
InChIKeyKXEUOQMMTHIHLJ-UHFFFAOYSA-N
XLogP1.02
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-5-chloro-N-(oxan-4-ylmethyl)pyridine-3-sulfonamide
CID 64602485
6-amino-5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64601870
5-chloro-6-(ethylamino)-N-[[(3R)-oxolan-3-yl]methyl]pyridine-3-sulfonamide
CID 164635829
6-amino-5-chloro-N-(3-cyclopentylpropyl)pyridine-3-sulfonamide
CID 106014920
6-amino-5-chloro-N-[(1-ethylpyrrolidin-3-yl)methyl]pyridine-3-sulfonamide
CID 64602628
N-(oxan-3-ylmethyl)benzenesulfonamide
CID 47320394
3-amino-4-bromo-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 115329018
3-amino-4-hydroxy-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 61126988
6-amino-5-chloro-N-[(5-oxopyrrolidin-2-yl)methyl]pyridine-3-sulfonamide
CID 64600942
3-amino-5-chloro-2-fluoro-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 103050953
2-amino-N-(oxolan-3-ylmethyl)pyridine-4-sulfonamide
CID 55119398
6-amino-5-chloro-N-cyclopropylpyridine-3-sulfonamide
CID 64607555

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide (CID 64601682) is 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide is Nc1ncc(S(=O)(=O)NCC2CCCOC2)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is KXEUOQMMTHIHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c12-10-4-9(6-14-11(10)13)19(16,17)15-5-8-2-1-3-18-7-8/h4,6,8,15H,1-3,5,7H2,(H2,13,14).
What are the key properties of 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 305.79 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(oxan-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64601682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).