N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide

C15H15ClFNO2S — CID 63396541

IUPACN-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2
InChIKeyDHKXQRSCQHOSAZ-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.26
Rot. Bonds6

About N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide

N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide (PubChem CID 63396541) has the molecular formula C15H15ClFNO2S and a molecular weight of 327.81 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
PubChem CID63396541
Molecular FormulaC15H15ClFNO2S
Molecular Weight327.81 g/mol
Exact Mass327.05
IUPAC NameN-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H15ClFNO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2
InChIKeyDHKXQRSCQHOSAZ-UHFFFAOYSA-N
XLogP3.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454
N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
CID 2695392
N-benzyl-2-chloro-N-propylbenzenesulfonamide
CID 134017133
N-benzyl-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
N-benzyl-2-hydroxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 81233797
N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
CID 101497565
N-(3-aminopropyl)-N-benzyl-2,6-difluorobenzenesulfonamide
CID 120664086
N,N-bis(2-chloroethyl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993134
2-[benzyl-(2-fluorophenyl)sulfonylamino]-N-cyclohexylacetamide
CID 2695389
N-benzyl-2-bromo-N-(2-bromoethyl)benzenesulfonamide
CID 80676433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide (CID 63396541) is N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide is O=S(=O)(c1ccccc1F)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide?
The InChIKey is DHKXQRSCQHOSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2S/c16-10-11-18(12-13-6-2-1-3-7-13)21(19,20)15-9-5-4-8-14(15)17/h1-9H,10-12H2.
What are the key properties of N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide?
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide has a molecular weight of 327.81 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63396541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).