N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide

C14H17N3O2S — CID 61359410

IUPACN-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)c2ccncc2N)c1
InChIInChI=1S/C14H17N3O2S/c1-10-4-5-11(2)14(8-10)20(18,19)17(3)13-6-7-16-9-12(13)15/h4-9H,15H2,1-3H3
InChIKeyYXPSVESLKCKGAA-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.11
Rot. Bonds3

About N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide

N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide (PubChem CID 61359410) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide
PubChem CID61359410
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)c2ccncc2N)c1
InChIInChI=1S/C14H17N3O2S/c1-10-4-5-11(2)14(8-10)20(18,19)17(3)13-6-7-16-9-12(13)15/h4-9H,15H2,1-3H3
InChIKeyYXPSVESLKCKGAA-UHFFFAOYSA-N
XLogP2.11
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-5-fluoro-N,2-dimethylbenzenesulfonamide
CID 61360190
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzenesulfonamide
CID 61360192
3-amino-4-[methyl(sulfamoyl)amino]pyridine
CID 114958702
N-(3-amino-4-pyridinyl)-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 61358245
N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
CID 61359217
N-(3-amino-4-pyridinyl)-1,1-difluoro-N-methylmethanesulfonamide
CID 61358244
4-N,4-N-dimethylpyridine-3,4-diamine
CID 14088946
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
N-(3-amino-4-pyridinyl)-N,3-dimethylbutane-1-sulfonamide
CID 63856219
methyl 2-[(2,5-dimethylphenyl)sulfonyl-methylamino]benzoate
CID 78830595
2-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 62002014
4-amino-N-(2,4-dimethylphenyl)-N,2-dimethylbenzenesulfonamide
CID 62002580

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide (CID 61359410) is N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)c2ccncc2N)c1.
What is the InChIKey of N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide?
The InChIKey is YXPSVESLKCKGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-4-5-11(2)14(8-10)20(18,19)17(3)13-6-7-16-9-12(13)15/h4-9H,15H2,1-3H3.
What are the key properties of N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide?
N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide is sourced from PubChem (CID 61359410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).