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

C17H23NO3S — CID 136528429

IUPACN-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CC1C1CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H23NO3S/c19-22(20,15-7-6-13-10-21-11-14(13)8-15)18-17-9-16(17)12-4-2-1-3-5-12/h6-8,12,16-18H,1-5,9-11H2
InChIKeyJETDQFZXMMMCRT-UHFFFAOYSA-N
MW321.44 g/mol
LogP2.96
Rot. Bonds4

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

N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide (PubChem CID 136528429) has the molecular formula C17H23NO3S and a molecular weight of 321.44 g/mol. Its IUPAC name is N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
PubChem CID136528429
Molecular FormulaC17H23NO3S
Molecular Weight321.44 g/mol
Exact Mass321.14
IUPAC NameN-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
SMILESO=S(=O)(NC1CC1C1CCCCC1)c1ccc2c(c1)COC2
InChIInChI=1S/C17H23NO3S/c19-22(20,15-7-6-13-10-21-11-14(13)8-15)18-17-9-16(17)12-4-2-1-3-5-12/h6-8,12,16-18H,1-5,9-11H2
InChIKeyJETDQFZXMMMCRT-UHFFFAOYSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(trifluoromethyl)cyclohexyl]-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 146131876
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
2,2-dichloro-N-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)cyclopropane-1-carboxamide
CID 136520718
N-(2-aminocyclopentyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 63251986
4-[[(1R,2S)-2-cyclobutylcyclopropyl]sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 126821603
(1R,6S)-6-(3,4-dihydro-1H-isochromen-7-ylsulfonylamino)cyclohex-3-ene-1-carboxylic acid
CID 166290515
N-(2-bicyclo[4.1.0]heptanyl)-4-(methanesulfonamido)benzenesulfonamide
CID 166239263
5-(4-chlorophenyl)-N-[(1R,2S)-2-cyclohexylcyclopropyl]thiophene-2-sulfonamide
CID 141117908
N-(6-methyl-2-pyridinyl)-1,3-dihydro-2-benzofuran-5-sulfonamide
CID 84584191
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-4-methylbenzenesulfonamide
CID 5247563
N-cyclooctyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 20927826

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
The IUPAC name of N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide (CID 136528429) is N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide.
What is the SMILES notation for N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
The canonical SMILES for N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide is O=S(=O)(NC1CC1C1CCCCC1)c1ccc2c(c1)COC2.
What is the InChIKey of N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
The InChIKey is JETDQFZXMMMCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3S/c19-22(20,15-7-6-13-10-21-11-14(13)8-15)18-17-9-16(17)12-4-2-1-3-5-12/h6-8,12,16-18H,1-5,9-11H2.
What are the key properties of N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide?
N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide has a molecular weight of 321.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylcyclopropyl)-1,3-dihydro-2-benzofuran-5-sulfonamide is sourced from PubChem (CID 136528429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).