2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C15H19N3O2S — CID 61138647

IUPAC2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2ccncc2)c(N)c1
InChIInChI=1S/C15H19N3O2S/c1-11-4-5-15(14(16)10-11)21(19,20)18(3)12(2)13-6-8-17-9-7-13/h4-10,12H,16H2,1-3H3
InChIKeyJSQBFATXGKZWQJ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.35
Rot. Bonds4

About 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 61138647) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID61138647
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)C(C)c2ccncc2)c(N)c1
InChIInChI=1S/C15H19N3O2S/c1-11-4-5-15(14(16)10-11)21(19,20)18(3)12(2)13-6-8-17-9-7-13/h4-10,12H,16H2,1-3H3
InChIKeyJSQBFATXGKZWQJ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
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

2-amino-N-(3,3-dimethylbutan-2-yl)-N,4-dimethylbenzenesulfonamide
CID 61112179
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61140353
3-amino-5-fluoro-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 63322661
2-amino-N-(2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 62333869
2-bromo-N,4-dimethyl-N-(1-phenylethyl)benzenesulfonamide
CID 60732273
2-amino-N,4-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656640
N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide
CID 166233836
2-amino-N,4-dimethyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81053835
2-amino-N-cyclopentyl-N,4-dimethylbenzenesulfonamide
CID 43266857
N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47268286
2-amino-N-methoxy-4-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 114276959
2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 8801941

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 61138647) is 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)C(C)c2ccncc2)c(N)c1.
What is the InChIKey of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is JSQBFATXGKZWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-4-5-15(14(16)10-11)21(19,20)18(3)12(2)13-6-8-17-9-7-13/h4-10,12H,16H2,1-3H3.
What are the key properties of 2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.35, 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-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61138647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).