4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide

C12H17N5O2S — CID 146135406

IUPAC4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide
SMILESCN(C)CCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C12H17N5O2S/c1-16(2)8-7-10-9-17(15-14-10)11-3-5-12(6-4-11)20(13,18)19/h3-6,9H,7-8H2,1-2H3,(H2,13,18,19)
InChIKeyMEXPRRZVFIVQPV-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.02
Rot. Bonds5

About 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide

4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide (PubChem CID 146135406) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide
PubChem CID146135406
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide
SMILESCN(C)CCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1
InChIInChI=1S/C12H17N5O2S/c1-16(2)8-7-10-9-17(15-14-10)11-3-5-12(6-4-11)20(13,18)19/h3-6,9H,7-8H2,1-2H3,(H2,13,18,19)
InChIKeyMEXPRRZVFIVQPV-UHFFFAOYSA-N
XLogP0.02
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide (CID 146135406) is 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide is CN(C)CCc1cn(-c2ccc(S(N)(=O)=O)cc2)nn1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide?
The InChIKey is MEXPRRZVFIVQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-16(2)8-7-10-9-17(15-14-10)11-3-5-12(6-4-11)20(13,18)19/h3-6,9H,7-8H2,1-2H3,(H2,13,18,19).
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide?
4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 146135406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).