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

C10H13N5O2S — CID 114168096

IUPAC2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccccc1S(N)(=O)=O)c1ncn[nH]1
InChIInChI=1S/C10H13N5O2S/c1-7(10-12-6-13-15-10)14-8-4-2-3-5-9(8)18(11,16)17/h2-7,14H,1H3,(H2,11,16,17)(H,12,13,15)
InChIKeyAECHOEUNAWNKJG-UHFFFAOYSA-N
MW267.31 g/mol
LogP0.63
Rot. Bonds4

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

2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (PubChem CID 114168096) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
PubChem CID114168096
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide
SMILESCC(Nc1ccccc1S(N)(=O)=O)c1ncn[nH]1
InChIInChI=1S/C10H13N5O2S/c1-7(10-12-6-13-15-10)14-8-4-2-3-5-9(8)18(11,16)17/h2-7,14H,1H3,(H2,11,16,17)(H,12,13,15)
InChIKeyAECHOEUNAWNKJG-UHFFFAOYSA-N
XLogP0.63
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 2927218
N-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 2973846
N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]methanesulfonamide
CID 37520147
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline
CID 56806034
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
2-ethylsulfonyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]aniline
CID 100665409
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-[(3-fluorophenyl)(methylsulfonyl)amino]-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 46995313
2-(3-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 52395798

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide (CID 114168096) is 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is CC(Nc1ccccc1S(N)(=O)=O)c1ncn[nH]1.
What is the InChIKey of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
The InChIKey is AECHOEUNAWNKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-7(10-12-6-13-15-10)14-8-4-2-3-5-9(8)18(11,16)17/h2-7,14H,1H3,(H2,11,16,17)(H,12,13,15).
What are the key properties of 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide?
2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-1,2,4-triazol-5-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 114168096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).