N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

C12H15N5O2S — CID 64531595

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H15N5O2S/c18-20(19,16-6-4-12-14-8-15-17-12)10-1-2-11-9(7-10)3-5-13-11/h1-2,7-8,13,16H,3-6H2,(H,14,15,17)
InChIKeyAGGMDZVXAVWLAT-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.29
Rot. Bonds5

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide (PubChem CID 64531595) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
PubChem CID64531595
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1ccc2c(c1)CCN2
InChIInChI=1S/C12H15N5O2S/c18-20(19,16-6-4-12-14-8-15-17-12)10-1-2-11-9(7-10)3-5-13-11/h1-2,7-8,13,16H,3-6H2,(H,14,15,17)
InChIKeyAGGMDZVXAVWLAT-UHFFFAOYSA-N
XLogP0.29
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
N-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 115520729
2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 64523776
2-iodo-5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 103962550
4-amino-3-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531775
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
N-(2-cyclopentyloxyethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 63829043
3-(aminomethyl)-4-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106067944
N-(3-methylbut-2-enyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 106191065

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide (CID 64531595) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide is O=S(=O)(NCCc1ncn[nH]1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
The InChIKey is AGGMDZVXAVWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c18-20(19,16-6-4-12-14-8-15-17-12)10-1-2-11-9(7-10)3-5-13-11/h1-2,7-8,13,16H,3-6H2,(H,14,15,17).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2,3-dihydro-1H-indole-5-sulfonamide is sourced from PubChem (CID 64531595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).