4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide

C10H10BrNO2S — CID 65480400

IUPAC4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C10H10BrNO2S/c1-2-7-12-15(13,14)10-5-3-9(8-11)4-6-10/h1,3-6,12H,7-8H2
InChIKeyQVXOBXLWDDXKDT-UHFFFAOYSA-N
MW288.17 g/mol
LogP1.49
Rot. Bonds4

About 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide

4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide (PubChem CID 65480400) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
PubChem CID65480400
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide
SMILESC#CCNS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C10H10BrNO2S/c1-2-7-12-15(13,14)10-5-3-9(8-11)4-6-10/h1,3-6,12H,7-8H2
InChIKeyQVXOBXLWDDXKDT-UHFFFAOYSA-N
XLogP1.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
CID 88616743
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
N-[4-(prop-2-ynylsulfamoyl)phenyl]acetamide
CID 9356086
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
3-amino-4-bromo-N-prop-2-ynylbenzenesulfonamide
CID 115328871
4-(bromomethyl)-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 65481827
4-[2-(1,3-dioxoisoindol-2-yl)ethyl]-N-prop-2-ynylbenzenesulfonamide
CID 155294818
N-[(4-chlorophenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313792
4-(bromomethyl)-N-(4-hydroxypentyl)benzenesulfonamide
CID 106137487
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
4-(bromomethyl)-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65481634

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide (CID 65480400) is 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide is C#CCNS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide?
The InChIKey is QVXOBXLWDDXKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c1-2-7-12-15(13,14)10-5-3-9(8-11)4-6-10/h1,3-6,12H,7-8H2.
What are the key properties of 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide?
4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide has a molecular weight of 288.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-prop-2-ynylbenzenesulfonamide is sourced from PubChem (CID 65480400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).