3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide

C10H15ClN2O2S — CID 43653893

IUPAC3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H15ClN2O2S/c1-13(16(14,15)8-2-5-11)9-10-3-6-12-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyJMMOYRHPRXWQFJ-UHFFFAOYSA-N
MW262.76 g/mol
LogP1.47
Rot. Bonds6

About 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide

3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide (PubChem CID 43653893) has the molecular formula C10H15ClN2O2S and a molecular weight of 262.76 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
PubChem CID43653893
Molecular FormulaC10H15ClN2O2S
Molecular Weight262.76 g/mol
Exact Mass262.05
IUPAC Name3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)CCCCl
InChIInChI=1S/C10H15ClN2O2S/c1-13(16(14,15)8-2-5-11)9-10-3-6-12-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3
InChIKeyJMMOYRHPRXWQFJ-UHFFFAOYSA-N
XLogP1.47
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 54877367
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propane-1-sulfonamide
CID 43653867
N-(dimethylsulfamoyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 110724815
4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide
CID 116816025
3-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1-sulfonamide
CID 63836299
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 43564507
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
N-methyl-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110724741
3-amino-N-[(4-methoxyphenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61418218
N-(chloromethyl)-N-methyl-1-pyridin-4-ylmethanamine
CID 115263261
4-[(4-chlorophenyl)methyl-methylsulfamoyl]butanoic acid
CID 43362117
N-[4-chloro-2-(3-chloropropoxy)phenyl]-N-(pyridin-4-ylmethyl)hexane-1-sulfonamide
CID 19844868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide (CID 43653893) is 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide is CN(Cc1ccncc1)S(=O)(=O)CCCCl.
What is the InChIKey of 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
The InChIKey is JMMOYRHPRXWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O2S/c1-13(16(14,15)8-2-5-11)9-10-3-6-12-7-4-10/h3-4,6-7H,2,5,8-9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide?
3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide has a molecular weight of 262.76 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(pyridin-4-ylmethyl)propane-1-sulfonamide is sourced from PubChem (CID 43653893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).