1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide

C13H15N3O2S — CID 43256541

IUPAC1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H15N3O2S/c1-16(13-7-2-3-8-15-13)19(17,18)10-11-5-4-6-12(14)9-11/h2-9H,10,14H2,1H3
InChIKeyNBQDLHVQJZQTDO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.63
Rot. Bonds4

About 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide

1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide (PubChem CID 43256541) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
PubChem CID43256541
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
SMILESCN(c1ccccn1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H15N3O2S/c1-16(13-7-2-3-8-15-13)19(17,18)10-11-5-4-6-12(14)9-11/h2-9H,10,14H2,1H3
InChIKeyNBQDLHVQJZQTDO-UHFFFAOYSA-N
XLogP1.63
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide (CID 43256541) is 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide is CN(c1ccccn1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is NBQDLHVQJZQTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-16(13-7-2-3-8-15-13)19(17,18)10-11-5-4-6-12(14)9-11/h2-9H,10,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide?
1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-methyl-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 43256541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).