N-(2-benzylsulfonylethyl)-2-chlorobenzamide

C16H16ClNO3S — CID 47029455

IUPACN-(2-benzylsulfonylethyl)-2-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-15-9-5-4-8-14(15)16(19)18-10-11-22(20,21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyNJCZQNBRKVBWMP-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.68
Rot. Bonds6

About N-(2-benzylsulfonylethyl)-2-chlorobenzamide

N-(2-benzylsulfonylethyl)-2-chlorobenzamide (PubChem CID 47029455) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-benzylsulfonylethyl)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(2-benzylsulfonylethyl)-2-chlorobenzamide
PubChem CID47029455
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC NameN-(2-benzylsulfonylethyl)-2-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)Cc1ccccc1)c1ccccc1Cl
InChIInChI=1S/C16H16ClNO3S/c17-15-9-5-4-8-14(15)16(19)18-10-11-22(20,21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19)
InChIKeyNJCZQNBRKVBWMP-UHFFFAOYSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2-benzylsulfonylethyl)-2-methylguanidine
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5-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]thiophene-2-carboxylic acid
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2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
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4-[2-[(2-chlorobenzoyl)amino]ethyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-benzylsulfonylethyl)-2-chlorobenzamide?
The IUPAC name of N-(2-benzylsulfonylethyl)-2-chlorobenzamide (CID 47029455) is N-(2-benzylsulfonylethyl)-2-chlorobenzamide.
What is the SMILES notation for N-(2-benzylsulfonylethyl)-2-chlorobenzamide?
The canonical SMILES for N-(2-benzylsulfonylethyl)-2-chlorobenzamide is O=C(NCCS(=O)(=O)Cc1ccccc1)c1ccccc1Cl.
What is the InChIKey of N-(2-benzylsulfonylethyl)-2-chlorobenzamide?
The InChIKey is NJCZQNBRKVBWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-15-9-5-4-8-14(15)16(19)18-10-11-22(20,21)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,18,19).
What are the key properties of N-(2-benzylsulfonylethyl)-2-chlorobenzamide?
N-(2-benzylsulfonylethyl)-2-chlorobenzamide has a molecular weight of 337.83 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylsulfonylethyl)-2-chlorobenzamide is sourced from PubChem (CID 47029455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).