3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide

C11H12F2N4O3S — CID 146143726

IUPAC3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(OC(F)F)c2)nn1C
InChIInChI=1S/C11H12F2N4O3S/c1-7-14-11(15-17(7)2)16-21(18,19)9-5-3-4-8(6-9)20-10(12)13/h3-6,10H,1-2H3,(H,15,16)
InChIKeyMSGPIAMYVNWQKR-UHFFFAOYSA-N
MW318.31 g/mol
LogP1.53
Rot. Bonds5

About 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide

3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 146143726) has the molecular formula C11H12F2N4O3S and a molecular weight of 318.31 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID146143726
Molecular FormulaC11H12F2N4O3S
Molecular Weight318.31 g/mol
Exact Mass318.06
IUPAC Name3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cccc(OC(F)F)c2)nn1C
InChIInChI=1S/C11H12F2N4O3S/c1-7-14-11(15-17(7)2)16-21(18,19)9-5-3-4-8(6-9)20-10(12)13/h3-6,10H,1-2H3,(H,15,16)
InChIKeyMSGPIAMYVNWQKR-UHFFFAOYSA-N
XLogP1.53
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 146143726) is 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide is Cc1nc(NS(=O)(=O)c2cccc(OC(F)F)c2)nn1C.
What is the InChIKey of 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is MSGPIAMYVNWQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4O3S/c1-7-14-11(15-17(7)2)16-21(18,19)9-5-3-4-8(6-9)20-10(12)13/h3-6,10H,1-2H3,(H,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide?
3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 318.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(1,5-dimethyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 146143726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).