5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide

C12H18ClN3O2S — CID 64601910

IUPAC5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H18ClN3O2S/c1-3-16(8-9-4-5-9)19(17,18)10-6-11(13)12(14-2)15-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyYPEBHRRQMIZSOF-UHFFFAOYSA-N
MW303.82 g/mol
LogP2.20
Rot. Bonds6

About 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide

5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide (PubChem CID 64601910) has the molecular formula C12H18ClN3O2S and a molecular weight of 303.82 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
PubChem CID64601910
Molecular FormulaC12H18ClN3O2S
Molecular Weight303.82 g/mol
Exact Mass303.08
IUPAC Name5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1cnc(NC)c(Cl)c1
InChIInChI=1S/C12H18ClN3O2S/c1-3-16(8-9-4-5-9)19(17,18)10-6-11(13)12(14-2)15-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyYPEBHRRQMIZSOF-UHFFFAOYSA-N
XLogP2.20
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide (CID 64601910) is 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide is CCN(CC1CC1)S(=O)(=O)c1cnc(NC)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
The InChIKey is YPEBHRRQMIZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2S/c1-3-16(8-9-4-5-9)19(17,18)10-6-11(13)12(14-2)15-7-10/h6-7,9H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide?
5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide has a molecular weight of 303.82 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(methylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 64601910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).