N,N-dibenzyl-1-chloromethanesulfonamide

C15H16ClNO2S — CID 63666157

IUPACN,N-dibenzyl-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H16ClNO2S/c16-13-20(18,19)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKJBPLNVZAMGPDO-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.21
Rot. Bonds6

About N,N-dibenzyl-1-chloromethanesulfonamide

N,N-dibenzyl-1-chloromethanesulfonamide (PubChem CID 63666157) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N,N-dibenzyl-1-chloromethanesulfonamide.

Molecular Properties

Compound NameN,N-dibenzyl-1-chloromethanesulfonamide
PubChem CID63666157
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN,N-dibenzyl-1-chloromethanesulfonamide
SMILESO=S(=O)(CCl)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C15H16ClNO2S/c16-13-20(18,19)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyKJBPLNVZAMGPDO-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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,N-dibenzylpropane-1-sulfonamide
CID 60642874
N-benzyl-N-tert-butyl-1-chloromethanesulfonamide
CID 165490798
sodium N,N-dibenzylsulfamate
CID 141380855
N,N'-dibenzyl-N,N'-diethylmethanedisulfonamide
CID 90121532
N-benzyl-N-(2-chloroethyl)benzenesulfonamide
CID 14170856
benzyl N,N-dibenzylsulfamate
CID 22184355
1-chloro-N-ethyl-N-[(4-methoxyphenyl)methyl]methanesulfonamide
CID 63664523
N-benzyl-3-chloro-2-methyl-N-propylpropane-1-sulfonamide
CID 79580738
1-chloro-N-[(4-propylphenyl)methyl]-N-(pyrimidin-5-ylmethyl)methanesulfonamide
CID 19844827
N-benzyl-2-chloro-N-(2-chloroethyl)benzenesulfonamide
CID 63396801
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
2-[benzyl(methylsulfonyl)amino]acetyl chloride
CID 50894323

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1-chloromethanesulfonamide?
The IUPAC name of N,N-dibenzyl-1-chloromethanesulfonamide (CID 63666157) is N,N-dibenzyl-1-chloromethanesulfonamide.
What is the SMILES notation for N,N-dibenzyl-1-chloromethanesulfonamide?
The canonical SMILES for N,N-dibenzyl-1-chloromethanesulfonamide is O=S(=O)(CCl)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-1-chloromethanesulfonamide?
The InChIKey is KJBPLNVZAMGPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c16-13-20(18,19)17(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of N,N-dibenzyl-1-chloromethanesulfonamide?
N,N-dibenzyl-1-chloromethanesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1-chloromethanesulfonamide is sourced from PubChem (CID 63666157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).