N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C16H23NO3S — CID 114631487

IUPACN-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO3S/c1-16(2)14(10-15(16)18)17-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14-15,17-18H,3-6,10H2,1-2H3
InChIKeyAXFRYFBZWAWJLE-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.00
Rot. Bonds3

About N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 114631487) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID114631487
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC1(C)C(O)CC1NS(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C16H23NO3S/c1-16(2)14(10-15(16)18)17-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14-15,17-18H,3-6,10H2,1-2H3
InChIKeyAXFRYFBZWAWJLE-UHFFFAOYSA-N
XLogP2.00
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114631670
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
N-(2-hydroxycyclohexyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 62359610
6-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)pyridine-3-sulfonamide
CID 114629375
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543
N-[(3-hydroxycyclobutyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 66006309
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methyl-4-nitrobenzenesulfonamide
CID 114631548
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)cyclobutan-1-ol
CID 66346470

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 114631487) is N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC1(C)C(O)CC1NS(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is AXFRYFBZWAWJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-16(2)14(10-15(16)18)17-21(19,20)13-8-7-11-5-3-4-6-12(11)9-13/h7-9,14-15,17-18H,3-6,10H2,1-2H3.
What are the key properties of N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 309.43 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylcyclobutyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 114631487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).