2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide

C12H12ClN3O2S — CID 43564507

IUPAC2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-16(9-10-4-7-14-8-5-10)19(17,18)11-3-2-6-15-12(11)13/h2-8H,9H2,1H3
InChIKeyTUGZFBUOOVCUBA-UHFFFAOYSA-N
MW297.77 g/mol
LogP1.95
Rot. Bonds4

About 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide

2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide (PubChem CID 43564507) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
PubChem CID43564507
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C12H12ClN3O2S/c1-16(9-10-4-7-14-8-5-10)19(17,18)11-3-2-6-15-12(11)13/h2-8H,9H2,1H3
InChIKeyTUGZFBUOOVCUBA-UHFFFAOYSA-N
XLogP1.95
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61047622
2-chloro-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-3-sulfonamide
CID 61052637
N-methyl-2-(methylamino)-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide
CID 62147367
N-[(3-bromophenyl)methyl]-2-chloro-N-methylpyridine-3-sulfonamide
CID 61045073
2-fluoro-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420461
2-chloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-sulfonamide
CID 64517471
2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 61052630
2-chloro-N-methyl-N-pentylpyridine-3-sulfonamide
CID 43456976
2-chloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 112698550
2-cyano-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 43420467
4-chloro-N-methyl-N-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 134018087
4-[(2-chloro-3-pyridinyl)sulfonyl-methylamino]butanoic acid
CID 43422935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide (CID 43564507) is 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide is CN(Cc1ccncc1)S(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is TUGZFBUOOVCUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-16(9-10-4-7-14-8-5-10)19(17,18)11-3-2-6-15-12(11)13/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide?
2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 297.77 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 43564507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).