3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H14ClN3O2S — CID 43564918

IUPAC3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H14ClN3O2S/c1-17(9-10-4-2-3-7-16-10)20(18,19)11-5-6-12(14)13(15)8-11/h2-8H,9,15H2,1H3
InChIKeyVYPBDGQQPCDMRI-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.14
Rot. Bonds4

About 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 43564918) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID43564918
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C13H14ClN3O2S/c1-17(9-10-4-2-3-7-16-10)20(18,19)11-5-6-12(14)13(15)8-11/h2-8H,9,15H2,1H3
InChIKeyVYPBDGQQPCDMRI-UHFFFAOYSA-N
XLogP2.14
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
5-amino-2-chloro-4-fluoro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 61113797
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
3-amino-4-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 61138433
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 81259129
2-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61004828
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
3-amino-2-bromo-5-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 62957761
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
4-amino-2,6-dibromo-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564889

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 43564918) is 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CN(Cc1ccccn1)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is VYPBDGQQPCDMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-17(9-10-4-2-3-7-16-10)20(18,19)11-5-6-12(14)13(15)8-11/h2-8H,9,15H2,1H3.
What are the key properties of 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43564918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).