N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide

C14H20BrNO2S — CID 114293826

IUPACN-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20BrNO2S/c1-3-14(2,10-15)16-19(17,18)13-8-7-11-5-4-6-12(11)9-13/h7-9,16H,3-6,10H2,1-2H3
InChIKeyPGMIVOHGNQZAGQ-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.02
Rot. Bonds5

About N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide

N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 114293826) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID114293826
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCC(C)(CBr)NS(=O)(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C14H20BrNO2S/c1-3-14(2,10-15)16-19(17,18)13-8-7-11-5-4-6-12(11)9-13/h7-9,16H,3-6,10H2,1-2H3
InChIKeyPGMIVOHGNQZAGQ-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
3-bromo-N-(1-bromo-2-methylbutan-2-yl)benzenesulfonamide
CID 114293798
N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 65112897
5-[2-(bromomethyl)-2-ethylbutyl]sulfonyl-2,3-dihydro-1H-indene
CID 64998596
N-(4-bromo-2,2-dimethylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106145778
5-(3-bromo-2,2-dimethylpropyl)sulfonyl-2,3-dihydro-1H-indene
CID 65000038
N-(1-bromo-2-methylbutan-2-yl)-4-methoxybenzenesulfonamide
CID 114293806
N-[2-(4-fluorophenyl)propan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 113091816
N-(1-amino-2-cyclopropylpropan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;hydrochloride
CID 119981622

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide (CID 114293826) is N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide is CCC(C)(CBr)NS(=O)(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is PGMIVOHGNQZAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-3-14(2,10-15)16-19(17,18)13-8-7-11-5-4-6-12(11)9-13/h7-9,16H,3-6,10H2,1-2H3.
What are the key properties of N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide?
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 346.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 114293826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).