6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide

C14H20ClN3O2S — CID 64601519

IUPAC6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2S/c1-18(8-11-5-9-2-3-10(11)4-9)21(19,20)12-6-13(15)14(16)17-7-12/h6-7,9-11H,2-5,8H2,1H3,(H2,16,17)
InChIKeyJYZCQONDKIEPGF-UHFFFAOYSA-N
MW329.85 g/mol
LogP2.37
Rot. Bonds4

About 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide

6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide (PubChem CID 64601519) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
PubChem CID64601519
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide
SMILESCN(CC1CC2CCC1C2)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2S/c1-18(8-11-5-9-2-3-10(11)4-9)21(19,20)12-6-13(15)14(16)17-7-12/h6-7,9-11H,2-5,8H2,1H3,(H2,16,17)
InChIKeyJYZCQONDKIEPGF-UHFFFAOYSA-N
XLogP2.37
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide (CID 64601519) is 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide is CN(CC1CC2CCC1C2)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide?
The InChIKey is JYZCQONDKIEPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2S/c1-18(8-11-5-9-2-3-10(11)4-9)21(19,20)12-6-13(15)14(16)17-7-12/h6-7,9-11H,2-5,8H2,1H3,(H2,16,17).
What are the key properties of 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide?
6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide has a molecular weight of 329.85 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 64601519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).