2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C15H19N3O2S — CID 43563351

IUPAC2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)Cc2cccnc2)cc1C
InChIInChI=1S/C15H19N3O2S/c1-11-7-14(16)15(8-12(11)2)21(19,20)18(3)10-13-5-4-6-17-9-13/h4-9H,10,16H2,1-3H3
InChIKeyUYKIYEDKQFJVOO-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.10
Rot. Bonds4

About 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 43563351) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID43563351
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(N)c(S(=O)(=O)N(C)Cc2cccnc2)cc1C
InChIInChI=1S/C15H19N3O2S/c1-11-7-14(16)15(8-12(11)2)21(19,20)18(3)10-13-5-4-6-17-9-13/h4-9H,10,16H2,1-3H3
InChIKeyUYKIYEDKQFJVOO-UHFFFAOYSA-N
XLogP2.10
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.10
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

N,4,5-trimethyl-2-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86825261
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563355
N,2-dimethyl-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86984238
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717
4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79178544
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110724733

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 43563351) is 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is Cc1cc(N)c(S(=O)(=O)N(C)Cc2cccnc2)cc1C.
What is the InChIKey of 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is UYKIYEDKQFJVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-7-14(16)15(8-12(11)2)21(19,20)18(3)10-13-5-4-6-17-9-13/h4-9H,10,16H2,1-3H3.
What are the key properties of 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43563351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).