5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide

C11H15ClN4O2S — CID 64600117

IUPAC5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)CC(C)C#N)cc1Cl
InChIInChI=1S/C11H15ClN4O2S/c1-8(5-13)7-16(3)19(17,18)9-4-10(12)11(14-2)15-6-9/h4,6,8H,7H2,1-3H3,(H,14,15)
InChIKeyBAUXWPDAIYBISH-UHFFFAOYSA-N
MW302.79 g/mol
LogP1.56
Rot. Bonds5

About 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide

5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 64600117) has the molecular formula C11H15ClN4O2S and a molecular weight of 302.79 g/mol. Its IUPAC name is 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
PubChem CID64600117
Molecular FormulaC11H15ClN4O2S
Molecular Weight302.79 g/mol
Exact Mass302.06
IUPAC Name5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCNc1ncc(S(=O)(=O)N(C)CC(C)C#N)cc1Cl
InChIInChI=1S/C11H15ClN4O2S/c1-8(5-13)7-16(3)19(17,18)9-4-10(12)11(14-2)15-6-9/h4,6,8H,7H2,1-3H3,(H,14,15)
InChIKeyBAUXWPDAIYBISH-UHFFFAOYSA-N
XLogP1.56
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608758
5-chloro-N,N-dimethyl-6-(methylamino)pyridine-3-sulfonamide
CID 64607736
2-chloro-N-(2-cyanopropyl)-N-methylpyridine-4-sulfonamide
CID 61046101
5-chloro-6-(ethylamino)-N-methyl-N-(2-methylbutyl)pyridine-3-sulfonamide
CID 64608903
N-(2-cyanopropyl)-N-methyl-2-(propylamino)pyrimidine-5-sulfonamide
CID 62159264
5-chloro-N-methyl-6-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-3-sulfonamide
CID 64602108
4-amino-2,6-dichloro-N-(2-cyanopropyl)-N-methylbenzenesulfonamide
CID 61139208
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715
5-chloro-N-[2-(dimethylamino)ethyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 64608007
5-chloro-N-ethyl-6-(methylamino)-N-phenylpyridine-3-sulfonamide
CID 64608514
5-chloro-N-(2-hydroxyethyl)-6-(methylamino)-N-propylpyridine-3-sulfonamide
CID 64602257
5-bromo-N-(2-cyanopropyl)-N-ethyl-2-(methylamino)pyridine-3-sulfonamide
CID 62152566

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide (CID 64600117) is 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide is CNc1ncc(S(=O)(=O)N(C)CC(C)C#N)cc1Cl.
What is the InChIKey of 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is BAUXWPDAIYBISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2S/c1-8(5-13)7-16(3)19(17,18)9-4-10(12)11(14-2)15-6-9/h4,6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 302.79 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyanopropyl)-N-methyl-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64600117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).