N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide

C15H17N3O3S — CID 124759808

IUPACN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESC[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H17N3O3S/c1-11(17-22(19,20)14-9-16-18(2)10-14)7-13-8-12-5-3-4-6-15(12)21-13/h3-6,8-11,17H,7H2,1-2H3/t11-/m1/s1
InChIKeyICGLHWAJBZUCEJ-LLVKDONJSA-N
MW319.39 g/mol
LogP2.08
Rot. Bonds5

About N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide

N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 124759808) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID124759808
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESC[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C15H17N3O3S/c1-11(17-22(19,20)14-9-16-18(2)10-14)7-13-8-12-5-3-4-6-15(12)21-13/h3-6,8-11,17H,7H2,1-2H3/t11-/m1/s1
InChIKeyICGLHWAJBZUCEJ-LLVKDONJSA-N
XLogP2.08
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760277
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 124760523
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 119104181
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
CID 121021353
N'-hydroxy-3-[(1-methylpyrazol-4-yl)sulfonylamino]butanimidamide
CID 55033286
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
N-[1-(1-benzofuran-2-yl)propan-2-yl]cyclopropanecarboxamide
CID 119104139
methyl (2S)-3-(1-benzofuran-2-yl)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 122404349
N-[1-(1-benzofuran-2-yl)propan-2-yl]-3-methylsulfonyl-2-oxoimidazolidine-1-carboxamide
CID 119104175

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide (CID 124759808) is N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide is C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is ICGLHWAJBZUCEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-11(17-22(19,20)14-9-16-18(2)10-14)7-13-8-12-5-3-4-6-15(12)21-13/h3-6,8-11,17H,7H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide?
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 124759808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).