2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide

C10H14N6O2S — CID 106281269

IUPAC2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1N)c1ncn[nH]1
InChIInChI=1S/C10H14N6O2S/c1-6(10-13-5-14-16-10)15-7-3-2-4-8(9(7)11)19(12,17)18/h2-6,15H,11H2,1H3,(H2,12,17,18)(H,13,14,16)
InChIKeyWNRVPOBZQOOBEF-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.21
Rot. Bonds4

About 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide

2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 106281269) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID106281269
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1cccc(S(N)(=O)=O)c1N)c1ncn[nH]1
InChIInChI=1S/C10H14N6O2S/c1-6(10-13-5-14-16-10)15-7-3-2-4-8(9(7)11)19(12,17)18/h2-6,15H,11H2,1H3,(H2,12,17,18)(H,13,14,16)
InChIKeyWNRVPOBZQOOBEF-UHFFFAOYSA-N
XLogP0.21
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 2973846
N,N-diethyl-4-[(4-methyl-1,2,4-triazol-3-yl)methylamino]benzenesulfonamide
CID 75517794
N-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-piperidin-1-ylsulfonylaniline
CID 86788944
(6S)-N-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607438
4-(dimethylamino)-N-[[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]methyl]benzenesulfonamide
CID 138018064
N-[1-(4-Phenyl-4H-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 555822
2-(difluoromethylsulfonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)aniline
CID 54885367
3-amino-5-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 55205304
N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2-(trifluoromethylsulfonyl)aniline
CID 56805702
N-(1H-1,2,4-triazol-5-ylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 60978106
N-(1H-1,2,4-triazol-5-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 60978228
N-[3-fluoro-4-(1H-1,2,4-triazol-5-ylmethylsulfamoyl)phenyl]acetamide
CID 60983592

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (CID 106281269) is 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is CC(Nc1cccc(S(N)(=O)=O)c1N)c1ncn[nH]1.
What is the InChIKey of 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is WNRVPOBZQOOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-6(10-13-5-14-16-10)15-7-3-2-4-8(9(7)11)19(12,17)18/h2-6,15H,11H2,1H3,(H2,12,17,18)(H,13,14,16).
What are the key properties of 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106281269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).