N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C16H25NO3S — CID 103833742

IUPACN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO3S/c1-16(2,3)15(9-10-18)17-21(19,20)14-8-7-12-5-4-6-13(12)11-14/h7-8,11,15,17-18H,4-6,9-10H2,1-3H3
InChIKeyKOMKQSVGRKKYDU-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.25
Rot. Bonds5

About N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 103833742) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID103833742
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCC(C)(C)C(CCO)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO3S/c1-16(2,3)15(9-10-18)17-21(19,20)14-8-7-12-5-4-6-13(12)11-14/h7-8,11,15,17-18H,4-6,9-10H2,1-3H3
InChIKeyKOMKQSVGRKKYDU-UHFFFAOYSA-N
XLogP2.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 75431301
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-methylbenzenesulfonamide
CID 103833861
N-(1-hydroxy-3-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 79255969
N-[(2R)-1-hydroxypropan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 39086781
4-(bromomethyl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 106353477
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1H-pyrrole-3-sulfonamide
CID 106353453
3-chloro-4-cyano-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 103833830
N-(1-chloro-3-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 79267831
N-[(2S)-1-hydroxybutan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 104981860
N-(4-chlorobutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 83179764
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
(2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)butanoic acid
CID 79009391

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 103833742) is N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is CC(C)(C)C(CCO)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is KOMKQSVGRKKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-16(2,3)15(9-10-18)17-21(19,20)14-8-7-12-5-4-6-13(12)11-14/h7-8,11,15,17-18H,4-6,9-10H2,1-3H3.
What are the key properties of N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-4,4-dimethylpentan-3-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 103833742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).