1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide

C14H15N3O3S — CID 16674035

IUPAC1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3cn(C)nc3C)ccc2o1
InChIInChI=1S/C14H15N3O3S/c1-9-6-11-7-12(4-5-13(11)20-9)16-21(18,19)14-8-17(3)15-10(14)2/h4-8,16H,1-3H3
InChIKeyBWVONUFHUDSGRU-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.58
Rot. Bonds3

About 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide

1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide (PubChem CID 16674035) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide
PubChem CID16674035
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide
SMILESCc1cc2cc(NS(=O)(=O)c3cn(C)nc3C)ccc2o1
InChIInChI=1S/C14H15N3O3S/c1-9-6-11-7-12(4-5-13(11)20-9)16-21(18,19)14-8-17(3)15-10(14)2/h4-8,16H,1-3H3
InChIKeyBWVONUFHUDSGRU-UHFFFAOYSA-N
XLogP2.58
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide (CID 16674035) is 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide is Cc1cc2cc(NS(=O)(=O)c3cn(C)nc3C)ccc2o1.
What is the InChIKey of 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide?
The InChIKey is BWVONUFHUDSGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-6-11-7-12(4-5-13(11)20-9)16-21(18,19)14-8-17(3)15-10(14)2/h4-8,16H,1-3H3.
What are the key properties of 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide?
1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide has a molecular weight of 305.36 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-methyl-1-benzofuran-5-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 16674035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).