6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide

C11H18ClN3O2S — CID 64607575

IUPAC6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H18ClN3O2S/c1-4-8(3)15(5-2)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,4-5H2,1-3H3,(H2,13,14)
InChIKeyAIIXFBGRAMJMMC-UHFFFAOYSA-N
MW291.80 g/mol
LogP2.13
Rot. Bonds5

About 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide

6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide (PubChem CID 64607575) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide
PubChem CID64607575
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide
SMILESCCC(C)N(CC)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C11H18ClN3O2S/c1-4-8(3)15(5-2)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,4-5H2,1-3H3,(H2,13,14)
InChIKeyAIIXFBGRAMJMMC-UHFFFAOYSA-N
XLogP2.13
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide (CID 64607575) is 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide is CCC(C)N(CC)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide?
The InChIKey is AIIXFBGRAMJMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2S/c1-4-8(3)15(5-2)18(16,17)9-6-10(12)11(13)14-7-9/h6-8H,4-5H2,1-3H3,(H2,13,14).
What are the key properties of 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide?
6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide has a molecular weight of 291.80 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-butan-2-yl-5-chloro-N-ethylpyridine-3-sulfonamide is sourced from PubChem (CID 64607575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).