4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide

C11H15N5O2S — CID 82198344

IUPAC4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide
SMILESCCc1c(CN)nnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15N5O2S/c1-2-11-10(7-12)14-15-16(11)8-3-5-9(6-4-8)19(13,17)18/h3-6H,2,7,12H2,1H3,(H2,13,17,18)
InChIKeySDLISHUTYATJSB-UHFFFAOYSA-N
MW281.34 g/mol
LogP-0.06
Rot. Bonds4

About 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide

4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide (PubChem CID 82198344) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide
PubChem CID82198344
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide
SMILESCCc1c(CN)nnn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15N5O2S/c1-2-11-10(7-12)14-15-16(11)8-3-5-9(6-4-8)19(13,17)18/h3-6H,2,7,12H2,1H3,(H2,13,17,18)
InChIKeySDLISHUTYATJSB-UHFFFAOYSA-N
XLogP-0.06
TPSA116.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide (CID 82198344) is 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide is CCc1c(CN)nnn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide?
The InChIKey is SDLISHUTYATJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-11-10(7-12)14-15-16(11)8-3-5-9(6-4-8)19(13,17)18/h3-6H,2,7,12H2,1H3,(H2,13,17,18).
What are the key properties of 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide?
4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(aminomethyl)-5-ethyltriazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 82198344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).