N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide

C14H21NO3S — CID 65112897

IUPACN-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO3S/c1-3-14(2,16)10-15-19(17,18)13-8-7-11-5-4-6-12(11)9-13/h7-9,15-16H,3-6,10H2,1-2H3
InChIKeyBHVSBMFTCLVHNG-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.61
Rot. Bonds5

About N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 65112897) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID65112897
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(C)(O)CNS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H21NO3S/c1-3-14(2,16)10-15-19(17,18)13-8-7-11-5-4-6-12(11)9-13/h7-9,15-16H,3-6,10H2,1-2H3
InChIKeyBHVSBMFTCLVHNG-UHFFFAOYSA-N
XLogP1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 65113392
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
N-(4-bromo-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106145778
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 65113353
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 95983491
3-fluoro-N-(2-hydroxy-2-methylbutyl)-4-methylbenzenesulfonamide
CID 65112867
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114293826
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
N-[2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)ethyl]acetamide
CID 26943012

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 65112897) is N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide is CCC(C)(O)CNS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is BHVSBMFTCLVHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-14(2,16)10-15-19(17,18)13-8-7-11-5-4-6-12(11)9-13/h7-9,15-16H,3-6,10H2,1-2H3.
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 283.39 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 65112897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).