N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide

C15H14ClNO4S — CID 3770920

IUPACN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO4S/c1-21-11-6-8-12(9-7-11)22(19,20)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDZKWKBLAXAPVNO-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.76
Rot. Bonds5

About N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide

N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide (PubChem CID 3770920) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
PubChem CID3770920
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC NameN-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide
SMILESCOc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClNO4S/c1-21-11-6-8-12(9-7-11)22(19,20)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18)
InChIKeyDZKWKBLAXAPVNO-UHFFFAOYSA-N
XLogP2.76
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486373
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]acetamide
CID 1486402
1-[4-(3-Chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenyl)sulfonylpropan-1-one
CID 4112280
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 1331007
1-[(4-chlorophenyl)sulfonyl]-N-(3-methoxyphenyl)cyclopropanecarboxamide
CID 15994794
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3245482
4-(Acetylamino)phenyl 5-chloro-2-methoxybenzenesulfonate
CID 3126374

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide (CID 3770920) is N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide is COc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
The InChIKey is DZKWKBLAXAPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-21-11-6-8-12(9-7-11)22(19,20)10-15(18)17-14-5-3-2-4-13(14)16/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide?
N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide has a molecular weight of 339.80 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(4-methoxyphenyl)sulfonylacetamide is sourced from PubChem (CID 3770920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).