N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

C16H16BrNO2S — CID 114298978

IUPACN-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(CBr)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H16BrNO2S/c17-11-12-3-1-6-15(9-12)18-21(19,20)16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10,18H,2,4-5,11H2
InChIKeyRMVZKBCWNTXIEE-UHFFFAOYSA-N
MW366.28 g/mol
LogP3.87
Rot. Bonds4

About N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 114298978) has the molecular formula C16H16BrNO2S and a molecular weight of 366.28 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID114298978
Molecular FormulaC16H16BrNO2S
Molecular Weight366.28 g/mol
Exact Mass365.01
IUPAC NameN-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESO=S(=O)(Nc1cccc(CBr)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H16BrNO2S/c17-11-12-3-1-6-15(9-12)18-21(19,20)16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10,18H,2,4-5,11H2
InChIKeyRMVZKBCWNTXIEE-UHFFFAOYSA-N
XLogP3.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.28
LogP ≤ 53.87
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-[3-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]cyclopropanecarboxamide
CID 35541261
3-bromo-N-(2,3-dihydro-1H-inden-5-yl)benzenesulfonamide
CID 5019685
3-N-(2,3-dihydro-1H-inden-5-yl)benzene-1,3-disulfonamide
CID 30286317
N-pyrimidin-5-yl-2,3-dihydro-1H-indene-5-sulfonamide
CID 167882461
3-(2,3-dihydro-1H-inden-5-ylsulfamoyl)benzoate
CID 8001167
N-[3-(2-oxopiperidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7636293
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7635947
N-(2-chloro-4-pyridinyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 103944070
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 64780149
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-[3-(hydroxymethyl)phenyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 60661387
[4-(2,3-dihydro-1H-inden-5-ylsulfonylamino)phenyl]urea
CID 33488490

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 114298978) is N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is O=S(=O)(Nc1cccc(CBr)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is RMVZKBCWNTXIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO2S/c17-11-12-3-1-6-15(9-12)18-21(19,20)16-8-7-13-4-2-5-14(13)10-16/h1,3,6-10,18H,2,4-5,11H2.
What are the key properties of N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 366.28 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 114298978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).