N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H18N4O3S — CID 122274715

IUPACN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1cc(-c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCO4)cn2)cn1
InChIInChI=1S/C18H18N4O3S/c1-22-12-15(11-20-22)17-4-2-13(9-19-17)10-21-26(23,24)16-3-5-18-14(8-16)6-7-25-18/h2-5,8-9,11-12,21H,6-7,10H2,1H3
InChIKeyBMBGVVOWOJURBZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.90
Rot. Bonds5

About N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 122274715) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID122274715
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1cc(-c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCO4)cn2)cn1
InChIInChI=1S/C18H18N4O3S/c1-22-12-15(11-20-22)17-4-2-13(9-19-17)10-21-26(23,24)16-3-5-18-14(8-16)6-7-25-18/h2-5,8-9,11-12,21H,6-7,10H2,1H3
InChIKeyBMBGVVOWOJURBZ-UHFFFAOYSA-N
XLogP1.90
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 122274694
3-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122274699
N-(pyridin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178731
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propane-2-sulfonamide
CID 122274631
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,3-benzodioxole-5-sulfonamide
CID 110787123
N-[(3,4-dimethoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51178750
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]butane-1-sulfonamide
CID 122274633
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 129005271
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-methylbenzenesulfonamide
CID 110787130
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110787143
1,1-dimethyl-3-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122274541
N-[[4-[(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 130431441

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 122274715) is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is Cn1cc(-c2ccc(CNS(=O)(=O)c3ccc4c(c3)CCO4)cn2)cn1.
What is the InChIKey of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is BMBGVVOWOJURBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-22-12-15(11-20-22)17-4-2-13(9-19-17)10-21-26(23,24)16-3-5-18-14(8-16)6-7-25-18/h2-5,8-9,11-12,21H,6-7,10H2,1H3.
What are the key properties of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 370.43 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 122274715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).