3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide

C13H16N4O2S — CID 60986935

IUPAC3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
SMILESCC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-9(13-4-2-3-5-16-13)17-11-6-10(14)7-12(8-11)20(15,18)19/h2-9,17H,14H2,1H3,(H2,15,18,19)
InChIKeyAIEPNFGMCVMBCM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.48
Rot. Bonds4

About 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide

3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide (PubChem CID 60986935) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
PubChem CID60986935
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide
SMILESCC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1ccccn1
InChIInChI=1S/C13H16N4O2S/c1-9(13-4-2-3-5-16-13)17-11-6-10(14)7-12(8-11)20(15,18)19/h2-9,17H,14H2,1H3,(H2,15,18,19)
InChIKeyAIEPNFGMCVMBCM-UHFFFAOYSA-N
XLogP1.48
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
3-amino-5-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 55122010
3-amino-5-[(2-hydroxy-1-phenylethyl)amino]benzenesulfonamide
CID 63182440
4-[(1-pyridin-2-ylethylamino)methyl]benzenesulfonamide
CID 43192891
2-methyl-N-[(1S)-1-pyridin-2-ylethyl]-5-sulfamoylbenzamide
CID 35943097
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
3-amino-5-(6-methylheptan-2-ylamino)benzenesulfonamide
CID 61469316
2-ethoxy-4-N-(1-pyridin-2-ylethyl)benzene-1,4-diamine
CID 63671320
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
3-amino-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzenesulfonamide
CID 61476143

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide (CID 60986935) is 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide is CC(Nc1cc(N)cc(S(N)(=O)=O)c1)c1ccccn1.
What is the InChIKey of 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide?
The InChIKey is AIEPNFGMCVMBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9(13-4-2-3-5-16-13)17-11-6-10(14)7-12(8-11)20(15,18)19/h2-9,17H,14H2,1H3,(H2,15,18,19).
What are the key properties of 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide?
3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(1-pyridin-2-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 60986935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).