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

C12H14ClN3O3S — CID 71914118

IUPAC2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(Cc1ccoc1)S(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H14ClN3O3S/c1-2-16(7-9-3-4-19-8-9)20(17,18)11-5-10(13)6-15-12(11)14/h3-6,8H,2,7H2,1H3,(H2,14,15)
InChIKeyYKTKMMSRMCVNBK-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.12
Rot. Bonds5

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

2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 71914118) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID71914118
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide
SMILESCCN(Cc1ccoc1)S(=O)(=O)c1cc(Cl)cnc1N
InChIInChI=1S/C12H14ClN3O3S/c1-2-16(7-9-3-4-19-8-9)20(17,18)11-5-10(13)6-15-12(11)14/h3-6,8H,2,7H2,1H3,(H2,14,15)
InChIKeyYKTKMMSRMCVNBK-UHFFFAOYSA-N
XLogP2.12
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide (CID 71914118) is 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide is CCN(Cc1ccoc1)S(=O)(=O)c1cc(Cl)cnc1N.
What is the InChIKey of 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is YKTKMMSRMCVNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-2-16(7-9-3-4-19-8-9)20(17,18)11-5-10(13)6-15-12(11)14/h3-6,8H,2,7H2,1H3,(H2,14,15).
What are the key properties of 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide?
2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 315.78 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-ethyl-N-(furan-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 71914118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).