4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide

C10H13N5O2S — CID 64518969

IUPAC4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C10H13N5O2S/c11-8-1-3-9(4-2-8)18(16,17)14-6-5-10-12-7-13-15-10/h1-4,7,14H,5-6,11H2,(H,12,13,15)
InChIKeyBUTOOVJVKFNZKT-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.09
Rot. Bonds5

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

4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 64518969) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
PubChem CID64518969
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cc1
InChIInChI=1S/C10H13N5O2S/c11-8-1-3-9(4-2-8)18(16,17)14-6-5-10-12-7-13-15-10/h1-4,7,14H,5-6,11H2,(H,12,13,15)
InChIKeyBUTOOVJVKFNZKT-UHFFFAOYSA-N
XLogP-0.09
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.09
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

4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
4-amino-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531775
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]benzenecarbothioamide
CID 64529596
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
2-iodo-5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 103962550
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 64518781
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
CID 64531595
3-(aminomethyl)-4-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106067944

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide (CID 64518969) is 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cc1.
What is the InChIKey of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is BUTOOVJVKFNZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-8-1-3-9(4-2-8)18(16,17)14-6-5-10-12-7-13-15-10/h1-4,7,14H,5-6,11H2,(H,12,13,15).
What are the key properties of 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide?
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of -0.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 64518969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).