N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide

C13H15N3O2S — CID 61293532

IUPACN-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)19(17,18)16-13-7-10(2)12(14)8-15-13/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyDKVZYSOYHKACPG-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.08
Rot. Bonds3

About N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide

N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 61293532) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID61293532
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(C)c(N)cn2)cc1
InChIInChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)19(17,18)16-13-7-10(2)12(14)8-15-13/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyDKVZYSOYHKACPG-UHFFFAOYSA-N
XLogP2.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-pyridinyl)-4-methylbenzenesulfonamide
CID 673877
5-amino-2-(dimethylsulfamoylamino)-4-methylpyridine
CID 61292614
N-(5-amino-4-methyl-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 61293161
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dibromobenzenesulfonamide
CID 61293712
N-(5-amino-4-methyl-2-pyridinyl)-3-bromothiophene-2-sulfonamide
CID 54947505
4-bromo-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 669661
3-amino-N-(5-bromo-4-methyl-2-pyridinyl)-5-methylbenzenesulfonamide
CID 79733417
N-(5-amino-4-methyl-2-pyridinyl)-5-ethylthiophene-2-sulfonamide
CID 61454347
N-(5-isocyano-2-pyridinyl)-4-methylbenzenesulfonamide
CID 156676151
N-(5-bromo-3-methyl-2-pyridinyl)-4-methylbenzenesulfonamide
CID 3707441
4-chloro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 759580
N-(5-amino-4-methyl-2-pyridinyl)-1-ethylimidazole-4-sulfonamide
CID 79373884

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide (CID 61293532) is N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(C)c(N)cn2)cc1.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is DKVZYSOYHKACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-3-5-11(6-4-9)19(17,18)16-13-7-10(2)12(14)8-15-13/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide?
N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 61293532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).