4-(bromomethyl)-N-cyclopropylbenzenesulfonamide

C10H12BrNO2S — CID 65482176

IUPAC4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(CBr)cc1
InChIInChI=1S/C10H12BrNO2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4,7H2
InChIKeyZASDFOSIPZAZDJ-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.02
Rot. Bonds4

About 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide

4-(bromomethyl)-N-cyclopropylbenzenesulfonamide (PubChem CID 65482176) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
PubChem CID65482176
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1ccc(CBr)cc1
InChIInChI=1S/C10H12BrNO2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4,7H2
InChIKeyZASDFOSIPZAZDJ-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.02
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

4-(bromomethyl)-N-(4,4-dimethylcyclohexyl)benzenesulfonamide
CID 65481434
N-cyclopropyl-4-[(cyclopropylamino)methyl]benzenesulfonamide
CID 60822263
N-cyclopropyl-4-(2-methylpropyl)benzenesulfonamide
CID 19681069
4-(aminomethyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 16787126
4-(2-bromo-3,3-dimethylbutyl)-N-cyclopropylbenzenesulfonamide
CID 63203522
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(bromomethyl)-N-(2-phenylcyclopropyl)benzenesulfonamide
CID 65480037
N-cyclopropyl-4-phenylbenzenesulfonamide
CID 110757630
4-(2-aminoethyl)-N-cyclohexylbenzenesulfonamide
CID 16643216
N-cyclooctyl-4-propylbenzenesulfonamide
CID 19681104
1-N-cyclopropyl-4-N,4-N-bis[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide
CID 1176403
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 75511970

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide (CID 65482176) is 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide is O=S(=O)(NC1CC1)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide?
The InChIKey is ZASDFOSIPZAZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c11-7-8-1-5-10(6-2-8)15(13,14)12-9-3-4-9/h1-2,5-6,9,12H,3-4,7H2.
What are the key properties of 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide?
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide has a molecular weight of 290.18 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-cyclopropylbenzenesulfonamide is sourced from PubChem (CID 65482176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).