N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride

C7H11ClN2O2S — CID 20787066

IUPACN-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride
SMILESCS(=O)(=O)NCc1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C7H10N2O2S.ClH/c1-12(10,11)9-6-7-3-2-4-8-5-7;/h2-5,9H,6H2,1H3;1H
InChIKeyNHOLXFCSDBWRMR-UHFFFAOYSA-N
MW222.70 g/mol
LogP-3.45
Rot. Bonds3

About N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride

N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride (PubChem CID 20787066) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride.

Molecular Properties

Compound NameN-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride
PubChem CID20787066
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC NameN-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride
SMILESCS(=O)(=O)NCc1ccc[nH+]c1.[Cl-]
InChIInChI=1S/C7H10N2O2S.ClH/c1-12(10,11)9-6-7-3-2-4-8-5-7;/h2-5,9H,6H2,1H3;1H
InChIKeyNHOLXFCSDBWRMR-UHFFFAOYSA-N
XLogP-3.45
TPSA60.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 5-3.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70601747
CID 70601747
N-[(3-nitrosophenyl)methyl]methanesulfonamide
CID 123247228
N-[(4-chlorophenyl)methyl]methanesulfonamide
CID 2800737
[3-(methanesulfonamidomethyl)phenyl]-methyl-oxoazanium
CID 123326478
N-[(4-butylphenyl)methyl]methanesulfonamide
CID 22246914
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
2,6-dichloro-N-(pyridin-1-ium-3-ylmethyl)benzamide chloride
CID 20787064
N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]methanesulfonamide
CID 119041788
molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
CID 142425737
N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 47454245
benzylsulfamic acid;ethane
CID 154691965
N-[[2-(aminomethyl)phenyl]methyl]methanesulfonamide
CID 62949532

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride?
The IUPAC name of N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride (CID 20787066) is N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride.
What is the SMILES notation for N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride?
The canonical SMILES for N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride is CS(=O)(=O)NCc1ccc[nH+]c1.[Cl-].
What is the InChIKey of N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride?
The InChIKey is NHOLXFCSDBWRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S.ClH/c1-12(10,11)9-6-7-3-2-4-8-5-7;/h2-5,9H,6H2,1H3;1H.
What are the key properties of N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride?
N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride has a molecular weight of 222.70 g/mol, XLogP of -3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride is sourced from PubChem (CID 20787066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).