3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

C14H17N3O2S — CID 61140353

IUPAC3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(c1ccncc1)N(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H17N3O2S/c1-11(12-6-8-16-9-7-12)17(2)20(18,19)14-5-3-4-13(15)10-14/h3-11H,15H2,1-2H3
InChIKeyCXNPGDFDHWIPSK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide

3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 61140353) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID61140353
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
SMILESCC(c1ccncc1)N(C)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C14H17N3O2S/c1-11(12-6-8-16-9-7-12)17(2)20(18,19)14-5-3-4-13(15)10-14/h3-11H,15H2,1-2H3
InChIKeyCXNPGDFDHWIPSK-UHFFFAOYSA-N
XLogP2.05
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.05
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

3-amino-5-fluoro-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 63322661
3-amino-N-methyl-N-[1-(5-methylthiophen-2-yl)ethyl]benzenesulfonamide
CID 61140502
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 61138647
N-methyl-N-(1-pyridin-4-ylethyl)-1H-pyrazole-4-sulfonamide
CID 47268286
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
3-acetyl-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 43021359
N-methyl-N-(1-pyridin-4-ylethyl)furan-2-sulfonamide
CID 166233836
N-[1-(3-aminophenyl)ethyl]-3-fluoro-N-methylpyridine-2-sulfonamide
CID 103298569
N-[1-(3-aminophenyl)ethyl]-2-bromo-N-methylbenzenesulfonamide
CID 43550366
N-[1-(3-aminophenyl)ethyl]-N,3-dimethylbutane-1-sulfonamide
CID 63857119
5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 61109520

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide (CID 61140353) is 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is CC(c1ccncc1)N(C)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is CXNPGDFDHWIPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11(12-6-8-16-9-7-12)17(2)20(18,19)14-5-3-4-13(15)10-14/h3-11H,15H2,1-2H3.
What are the key properties of 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide?
3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61140353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).