2-benzylsulfonyl-N-(2-chlorophenyl)acetamide

C15H14ClNO3S — CID 4306506

IUPAC2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c16-13-8-4-5-9-14(13)17-15(18)11-21(19,20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeySHJARXWEUGHKHI-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.89
Rot. Bonds5

About 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide

2-benzylsulfonyl-N-(2-chlorophenyl)acetamide (PubChem CID 4306506) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
PubChem CID4306506
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
SMILESO=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C15H14ClNO3S/c16-13-8-4-5-9-14(13)17-15(18)11-21(19,20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18)
InChIKeySHJARXWEUGHKHI-UHFFFAOYSA-N
XLogP2.89
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2162964
2-benzylsulfonyl-N-(2-methoxyphenyl)acetamide
CID 4306504
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926204
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
N-(2-chlorophenyl)-2-(3-cyanopropylsulfonyl)acetamide
CID 82531658
2-benzylsulfonyl-N-(2-methyl-3-nitrophenyl)acetamide
CID 2162828
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-2-[methyl-[2-(3-phenylpropylsulfonyl)acetyl]amino]acetamide
CID 46451766
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
2-benzylsulfonyl-N-(1,3-thiazol-2-yl)acetamide
CID 3158209
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide (CID 4306506) is 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide is O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide?
The InChIKey is SHJARXWEUGHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-13-8-4-5-9-14(13)17-15(18)11-21(19,20)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,17,18).
What are the key properties of 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide?
2-benzylsulfonyl-N-(2-chlorophenyl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 4306506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).