5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole

C11H20F3N5O2S — CID 138018465

IUPAC5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)NC(C)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H20F3N5O2S/c1-4-6-19(7-5-2)22(20,21)18-8(3)9-15-10(17-16-9)11(12,13)14/h8,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyOHJNHJBQUXQQRI-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.84
Rot. Bonds8

About 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole

5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 138018465) has the molecular formula C11H20F3N5O2S and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID138018465
Molecular FormulaC11H20F3N5O2S
Molecular Weight343.38 g/mol
Exact Mass343.13
IUPAC Name5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole
SMILESCCCN(CCC)S(=O)(=O)NC(C)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C11H20F3N5O2S/c1-4-6-19(7-5-2)22(20,21)18-8(3)9-15-10(17-16-9)11(12,13)14/h8,18H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyOHJNHJBQUXQQRI-UHFFFAOYSA-N
XLogP1.84
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole (CID 138018465) is 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole is CCCN(CCC)S(=O)(=O)NC(C)c1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is OHJNHJBQUXQQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N5O2S/c1-4-6-19(7-5-2)22(20,21)18-8(3)9-15-10(17-16-9)11(12,13)14/h8,18H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole?
5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 343.38 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dipropylsulfamoylamino)ethyl]-3-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 138018465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).