N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C17H17N5O3S — CID 121135190

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(C)n(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ncn2)n1
InChIInChI=1S/C17H17N5O3S/c1-11-7-12(2)22(20-11)17-9-16(18-10-19-17)21-26(23,24)14-3-4-15-13(8-14)5-6-25-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,19,21)
InChIKeyZBIVIUCKIYOFGR-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.01
Rot. Bonds4

About N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 121135190) has the molecular formula C17H17N5O3S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID121135190
Molecular FormulaC17H17N5O3S
Molecular Weight371.42 g/mol
Exact Mass371.11
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCc1cc(C)n(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ncn2)n1
InChIInChI=1S/C17H17N5O3S/c1-11-7-12(2)22(20-11)17-9-16(18-10-19-17)21-26(23,24)14-3-4-15-13(8-14)5-6-25-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,19,21)
InChIKeyZBIVIUCKIYOFGR-UHFFFAOYSA-N
XLogP2.01
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,4,5-trichloro-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135165
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 121135146
N-(5-bromopyrazin-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115733543
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 121072647
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 122289789
N-(5-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072921
N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 110760967
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356729
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 122356397
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 115631156
N-(4-bromo-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46807417

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 121135190) is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cc1cc(C)n(-c2cc(NS(=O)(=O)c3ccc4c(c3)CCO4)ncn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is ZBIVIUCKIYOFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S/c1-11-7-12(2)22(20-11)17-9-16(18-10-19-17)21-26(23,24)14-3-4-15-13(8-14)5-6-25-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,19,21).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 371.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 121135190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).