4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide

C15H15ClFNO2S — CID 43662811

IUPAC4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1ccc(CCCl)cc1
InChIInChI=1S/C15H15ClFNO2S/c16-9-8-12-4-6-15(7-5-12)21(19,20)18-11-13-2-1-3-14(17)10-13/h1-7,10,18H,8-9,11H2
InChIKeyTZMZFJOQUAEVEC-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.09
Rot. Bonds6

About 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide

4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide (PubChem CID 43662811) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
PubChem CID43662811
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC Name4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(F)c1)c1ccc(CCCl)cc1
InChIInChI=1S/C15H15ClFNO2S/c16-9-8-12-4-6-15(7-5-12)21(19,20)18-11-13-2-1-3-14(17)10-13/h1-7,10,18H,8-9,11H2
InChIKeyTZMZFJOQUAEVEC-UHFFFAOYSA-N
XLogP3.09
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.09
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

3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-[(3-fluorophenyl)methyl]-4-(methylamino)benzenesulfonamide
CID 43332122
3-amino-4-chloro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 28970051
4-(2-chloroethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 28719352
3-amino-4-ethyl-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 43258739
N-[[3-(bromomethyl)phenyl]methyl]-4-fluorobenzenesulfonamide
CID 114297971
N-[[3-(bromomethyl)phenyl]methyl]-3-fluorobenzenesulfonamide
CID 114297989
3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
4-chloro-N-[(3-fluorophenyl)methyl]butane-1-sulfonamide
CID 116815181
4-(2-chloroethyl)-N-(furan-3-ylmethyl)benzenesulfonamide
CID 115588808
4-bromo-N-[(3-fluorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 98000551
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide (CID 43662811) is 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1cccc(F)c1)c1ccc(CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
The InChIKey is TZMZFJOQUAEVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c16-9-8-12-4-6-15(7-5-12)21(19,20)18-11-13-2-1-3-14(17)10-13/h1-7,10,18H,8-9,11H2.
What are the key properties of 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide?
4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43662811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).