N-benzyl-N-(2-chloroethyl)benzenesulfonamide

C15H16ClNO2S — CID 14170856

IUPACN-benzyl-N-(2-chloroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H16ClNO2S/c16-11-12-17(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKUKVIZFUXPJIDX-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.12
Rot. Bonds6

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

N-benzyl-N-(2-chloroethyl)benzenesulfonamide (PubChem CID 14170856) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-benzyl-N-(2-chloroethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chloroethyl)benzenesulfonamide
PubChem CID14170856
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-benzyl-N-(2-chloroethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(CCCl)Cc1ccccc1
InChIInChI=1S/C15H16ClNO2S/c16-11-12-17(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKUKVIZFUXPJIDX-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.12
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-N-(2-chloroethyl)pyridine-3-sulfonamide
CID 63396584
N-benzyl-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 54184847
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
N-benzyl-N-ethylbenzenesulfonamide
CID 668950
N-benzyl-N-(2-chloroethyl)thiophene-2-sulfonamide
CID 63396454
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[benzenesulfonyl(benzyl)amino]acetyl chloride
CID 50894500
N-benzyl-N-[3-(3,5-dichlorophenyl)propyl]benzenesulfonamide
CID 57088332
N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 51258343
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chloroethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(2-chloroethyl)benzenesulfonamide (CID 14170856) is N-benzyl-N-(2-chloroethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(2-chloroethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(2-chloroethyl)benzenesulfonamide is O=S(=O)(c1ccccc1)N(CCCl)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(2-chloroethyl)benzenesulfonamide?
The InChIKey is KUKVIZFUXPJIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-11-12-17(13-14-7-3-1-4-8-14)20(18,19)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of N-benzyl-N-(2-chloroethyl)benzenesulfonamide?
N-benzyl-N-(2-chloroethyl)benzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.12, 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)benzenesulfonamide is sourced from PubChem (CID 14170856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).