2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide

C13H16N4O2S — CID 79467494

IUPAC2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1ccncc1
InChIInChI=1S/C13H16N4O2S/c1-9(10-4-6-16-7-5-10)17-11-2-3-13(12(14)8-11)20(15,18)19/h2-9,17H,14H2,1H3,(H2,15,18,19)
InChIKeyKJRUWWCKZRETQC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.48
Rot. Bonds4

About 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide

2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide (PubChem CID 79467494) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
PubChem CID79467494
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide
SMILESCC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1ccncc1
InChIInChI=1S/C13H16N4O2S/c1-9(10-4-6-16-7-5-10)17-11-2-3-13(12(14)8-11)20(15,18)19/h2-9,17H,14H2,1H3,(H2,15,18,19)
InChIKeyKJRUWWCKZRETQC-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

2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950
3-(1-pyridin-4-ylethylamino)benzenesulfonamide
CID 43193565
2-amino-4-[1-(furan-2-yl)ethylamino]benzenesulfonamide
CID 79466885
2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
2-amino-4-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 79466776
3-N-(1-pyridin-4-ylethyl)benzene-1,3-diamine
CID 43524021
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002
ethyl 2-(3-amino-4-sulfamoylanilino)propanoate
CID 79466894
5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114954565
4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 43396000

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide (CID 79467494) is 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide is CC(Nc1ccc(S(N)(=O)=O)c(N)c1)c1ccncc1.
What is the InChIKey of 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide?
The InChIKey is KJRUWWCKZRETQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-9(10-4-6-16-7-5-10)17-11-2-3-13(12(14)8-11)20(15,18)19/h2-9,17H,14H2,1H3,(H2,15,18,19).
What are the key properties of 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide?
2-amino-4-(1-pyridin-4-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 2-amino-4-(1-pyridin-4-ylethylamino)benzenesulfonamide is sourced from PubChem (CID 79467494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).