N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

C14H19NO4S — CID 43389822

IUPACN-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO4S/c16-12-3-1-11(2-4-12)15-20(17,18)13-5-6-14-10(9-13)7-8-19-14/h5-6,9,11-12,15-16H,1-4,7-8H2
InChIKeyMRKORQCICKVNMT-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.20
Rot. Bonds3

About N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (PubChem CID 43389822) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
PubChem CID43389822
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC NameN-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CCC(O)CC1)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H19NO4S/c16-12-3-1-11(2-4-12)15-20(17,18)13-5-6-14-10(9-13)7-8-19-14/h5-6,9,11-12,15-16H,1-4,7-8H2
InChIKeyMRKORQCICKVNMT-UHFFFAOYSA-N
XLogP1.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55361585
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 55542508
4-N-cyclopropyl-1-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzene-1,4-disulfonamide
CID 70828500
N-(2-fluorocyclopentyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 126857791
N-[4-[(2-methyl-3-pyridinyl)oxy]cyclohexyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 176502937
N-(4-hydroxycyclohexyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 28940832
3-(2,3-dihydro-1-benzofuran-5-ylsulfonylamino)-N-ethylpyrrolidine-1-carboxamide
CID 139006719
6-(cyclopropylsulfamoyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 16788179
N-(2-oxopiperidin-3-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 49457204
N-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 136962420
(3R)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-3-ol
CID 66291738
1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidine-3,4-diol
CID 106672599

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide (CID 43389822) is N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is O=S(=O)(NC1CCC(O)CC1)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
The InChIKey is MRKORQCICKVNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c16-12-3-1-11(2-4-12)15-20(17,18)13-5-6-14-10(9-13)7-8-19-14/h5-6,9,11-12,15-16H,1-4,7-8H2.
What are the key properties of N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide?
N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide is sourced from PubChem (CID 43389822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).