4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

C14H16BrNO2S2 — CID 65479835

IUPAC4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H16BrNO2S2/c1-11(8-13-6-7-19-10-13)16-20(17,18)14-4-2-12(9-15)3-5-14/h2-7,10-11,16H,8-9H2,1H3
InChIKeyRAMVOYDHMMCJNI-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.55
Rot. Bonds6

About 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide

4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (PubChem CID 65479835) has the molecular formula C14H16BrNO2S2 and a molecular weight of 374.33 g/mol. Its IUPAC name is 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
PubChem CID65479835
Molecular FormulaC14H16BrNO2S2
Molecular Weight374.33 g/mol
Exact Mass372.98
IUPAC Name4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
SMILESCC(Cc1ccsc1)NS(=O)(=O)c1ccc(CBr)cc1
InChIInChI=1S/C14H16BrNO2S2/c1-11(8-13-6-7-19-10-13)16-20(17,18)14-4-2-12(9-15)3-5-14/h2-7,10-11,16H,8-9H2,1H3
InChIKeyRAMVOYDHMMCJNI-UHFFFAOYSA-N
XLogP3.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.55
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

4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 81440427
4-bromo-2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 63420478
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
2-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 62152021
6-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3-sulfonamide
CID 64602655
4-(bromomethyl)-N-[4-(dimethylamino)butan-2-yl]benzenesulfonamide
CID 65480832
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
2-(aminomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 106053233
4-(bromomethyl)-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 65481983
5-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 61474831
4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
CID 11221413
5-methyl-N-(1-thiophen-3-ylpropan-2-yl)-1H-pyrazole-4-sulfonamide
CID 54954014

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide (CID 65479835) is 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide is CC(Cc1ccsc1)NS(=O)(=O)c1ccc(CBr)cc1.
What is the InChIKey of 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
The InChIKey is RAMVOYDHMMCJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2S2/c1-11(8-13-6-7-19-10-13)16-20(17,18)14-4-2-12(9-15)3-5-14/h2-7,10-11,16H,8-9H2,1H3.
What are the key properties of 4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide?
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide has a molecular weight of 374.33 g/mol, XLogP of 3.55, 6 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-3-ylpropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 65479835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).