N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C19H23N3O3S — CID 121139495

IUPACN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCCn1nc(C2CC2)cc1C1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23N3O3S/c23-26(24,16-5-6-19-15(11-16)7-10-25-19)20-8-9-22-18(14-3-4-14)12-17(21-22)13-1-2-13/h5-6,11-14,20H,1-4,7-10H2
InChIKeyYMGDPSIMKWSLHS-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.55
Rot. Bonds7

About N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 121139495) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID121139495
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NCCn1nc(C2CC2)cc1C1CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H23N3O3S/c23-26(24,16-5-6-19-15(11-16)7-10-25-19)20-8-9-22-18(14-3-4-14)12-17(21-22)13-1-2-13/h5-6,11-14,20H,1-4,7-10H2
InChIKeyYMGDPSIMKWSLHS-UHFFFAOYSA-N
XLogP2.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121139415
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072939
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121139439
methyl 4-[2-(3,5-dicyclopropylpyrazol-1-yl)ethylsulfamoyl]benzoate
CID 121139441
N-[2-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 71805301
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]methanesulfonamide
CID 72718788
N-[2-(cycloheptylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119987288
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]naphthalene-1-sulfonamide
CID 121139409
N-[3-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119965027
N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55766382
N-[2-(2-methoxyethylamino)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 83038916
N-[2-(1-methyl-2,2-dioxo-2λ6,1,3-benzothiadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 121018551

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 121139495) is N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NCCn1nc(C2CC2)cc1C1CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is YMGDPSIMKWSLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-26(24,16-5-6-19-15(11-16)7-10-25-19)20-8-9-22-18(14-3-4-14)12-17(21-22)13-1-2-13/h5-6,11-14,20H,1-4,7-10H2.
What are the key properties of N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 121139495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).