N-pyridin-1-ium-4-ylmethanesulfonamide chloride

C6H9ClN2O2S — CID 44887109

IUPACN-pyridin-1-ium-4-ylmethanesulfonamide chloride
SMILESCS(=O)(=O)Nc1cc[nH+]cc1.[Cl-]
InChIInChI=1S/C6H8N2O2S.ClH/c1-11(9,10)8-6-2-4-7-5-3-6;/h2-5H,1H3,(H,7,8);1H
InChIKeyLESHICVAMUEJBI-UHFFFAOYSA-N
MW208.67 g/mol
LogP-3.12
Rot. Bonds2

About N-pyridin-1-ium-4-ylmethanesulfonamide chloride

N-pyridin-1-ium-4-ylmethanesulfonamide chloride (PubChem CID 44887109) has the molecular formula C6H9ClN2O2S and a molecular weight of 208.67 g/mol. Its IUPAC name is N-pyridin-1-ium-4-ylmethanesulfonamide chloride.

Molecular Properties

Compound NameN-pyridin-1-ium-4-ylmethanesulfonamide chloride
PubChem CID44887109
Molecular FormulaC6H9ClN2O2S
Molecular Weight208.67 g/mol
Exact Mass208.01
IUPAC NameN-pyridin-1-ium-4-ylmethanesulfonamide chloride
SMILESCS(=O)(=O)Nc1cc[nH+]cc1.[Cl-]
InChIInChI=1S/C6H8N2O2S.ClH/c1-11(9,10)8-6-2-4-7-5-3-6;/h2-5H,1H3,(H,7,8);1H
InChIKeyLESHICVAMUEJBI-UHFFFAOYSA-N
XLogP-3.12
TPSA60.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.67
LogP ≤ 5-3.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-1-ium-4-ylmethanesulfonamide chloride?
The IUPAC name of N-pyridin-1-ium-4-ylmethanesulfonamide chloride (CID 44887109) is N-pyridin-1-ium-4-ylmethanesulfonamide chloride.
What is the SMILES notation for N-pyridin-1-ium-4-ylmethanesulfonamide chloride?
The canonical SMILES for N-pyridin-1-ium-4-ylmethanesulfonamide chloride is CS(=O)(=O)Nc1cc[nH+]cc1.[Cl-].
What is the InChIKey of N-pyridin-1-ium-4-ylmethanesulfonamide chloride?
The InChIKey is LESHICVAMUEJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.ClH/c1-11(9,10)8-6-2-4-7-5-3-6;/h2-5H,1H3,(H,7,8);1H.
What are the key properties of N-pyridin-1-ium-4-ylmethanesulfonamide chloride?
N-pyridin-1-ium-4-ylmethanesulfonamide chloride has a molecular weight of 208.67 g/mol, XLogP of -3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-1-ium-4-ylmethanesulfonamide chloride is sourced from PubChem (CID 44887109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).