2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

C15H20N4O3S — CID 167942884

IUPAC2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCC1Cc2cccc(S(=O)(=O)NC(C)(C)c3cn(C)nn3)c2O1
InChIInChI=1S/C15H20N4O3S/c1-10-8-11-6-5-7-12(14(11)22-10)23(20,21)17-15(2,3)13-9-19(4)18-16-13/h5-7,9-10,17H,8H2,1-4H3
InChIKeyKTVSUBBJVRHGCZ-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.35
Rot. Bonds4

About 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide

2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide (PubChem CID 167942884) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
PubChem CID167942884
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide
SMILESCC1Cc2cccc(S(=O)(=O)NC(C)(C)c3cn(C)nn3)c2O1
InChIInChI=1S/C15H20N4O3S/c1-10-8-11-6-5-7-12(14(11)22-10)23(20,21)17-15(2,3)13-9-19(4)18-16-13/h5-7,9-10,17H,8H2,1-4H3
InChIKeyKTVSUBBJVRHGCZ-UHFFFAOYSA-N
XLogP1.35
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The IUPAC name of 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide (CID 167942884) is 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The canonical SMILES for 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide is CC1Cc2cccc(S(=O)(=O)NC(C)(C)c3cn(C)nn3)c2O1.
What is the InChIKey of 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
The InChIKey is KTVSUBBJVRHGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-10-8-11-6-5-7-12(14(11)22-10)23(20,21)17-15(2,3)13-9-19(4)18-16-13/h5-7,9-10,17H,8H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide?
2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide has a molecular weight of 336.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methyltriazol-4-yl)propan-2-yl]-2,3-dihydro-1-benzofuran-7-sulfonamide is sourced from PubChem (CID 167942884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).