N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C18H23N3O3S — CID 126786378

IUPACN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H23N3O3S/c1-21-18(12-16(19-21)13-5-3-2-4-6-13)20-25(22,23)15-7-8-17-14(11-15)9-10-24-17/h7-8,11-13,20H,2-6,9-10H2,1H3
InChIKeySEFMLKXTYTUFLF-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.20
Rot. Bonds4

About N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 126786378) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID126786378
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESCn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H23N3O3S/c1-21-18(12-16(19-21)13-5-3-2-4-6-13)20-25(22,23)15-7-8-17-14(11-15)9-10-24-17/h7-8,11-13,20H,2-6,9-10H2,1H3
InChIKeySEFMLKXTYTUFLF-UHFFFAOYSA-N
XLogP3.20
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 126786378) is N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is SEFMLKXTYTUFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-21-18(12-16(19-21)13-5-3-2-4-6-13)20-25(22,23)15-7-8-17-14(11-15)9-10-24-17/h7-8,11-13,20H,2-6,9-10H2,1H3.
What are the key properties of N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 361.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 126786378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).