4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide

C13H14BrNO2S2 — CID 65481983

IUPAC4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CBr)cc1)c1cccs1
InChIInChI=1S/C13H14BrNO2S2/c1-10(13-3-2-8-18-13)15-19(16,17)12-6-4-11(9-14)5-7-12/h2-8,10,15H,9H2,1H3
InChIKeyNRUNZSFPHGIIRI-UHFFFAOYSA-N
MW360.30 g/mol
LogP3.68
Rot. Bonds5

About 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide

4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 65481983) has the molecular formula C13H14BrNO2S2 and a molecular weight of 360.30 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID65481983
Molecular FormulaC13H14BrNO2S2
Molecular Weight360.30 g/mol
Exact Mass358.96
IUPAC Name4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(CBr)cc1)c1cccs1
InChIInChI=1S/C13H14BrNO2S2/c1-10(13-3-2-8-18-13)15-19(16,17)12-6-4-11(9-14)5-7-12/h2-8,10,15H,9H2,1H3
InChIKeyNRUNZSFPHGIIRI-UHFFFAOYSA-N
XLogP3.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.30
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]phenyl]acetic acid
CID 81389151
1-N-(2-methylpropyl)-4-N-[(1S)-1-thiophen-2-ylethyl]benzene-1,4-disulfonamide
CID 1459679
4-(bromomethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzenesulfonamide
CID 107858824
4-(bromomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]benzenesulfonamide
CID 107858568
6-amino-N-(1-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62148005
N-(1-thiophen-2-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 43001337
2-oxo-N-[(1R)-1-thiophen-2-ylethyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8798860
5-bromo-N-(1-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 51169859
4-(bromomethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 114168203
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
2-methyl-5-[[(1R)-1-thiophen-2-ylethyl]sulfamoyl]benzoic acid
CID 81389842
2-bromo-4-fluoro-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47257678

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide (CID 65481983) is 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(CBr)cc1)c1cccs1.
What is the InChIKey of 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is NRUNZSFPHGIIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO2S2/c1-10(13-3-2-8-18-13)15-19(16,17)12-6-4-11(9-14)5-7-12/h2-8,10,15H,9H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide?
4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 360.30 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 65481983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).