2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide

C15H14ClNO3S — CID 1483400

IUPAC2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-20-13-7-5-12(6-8-13)17-15(18)10-21(19)14-4-2-3-11(16)9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyNRORSVRKDPWNBV-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.09
Rot. Bonds5

About 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide

2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide (PubChem CID 1483400) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide
PubChem CID1483400
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CS(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-20-13-7-5-12(6-8-13)17-15(18)10-21(19)14-4-2-3-11(16)9-14/h2-9H,10H2,1H3,(H,17,18)
InChIKeyNRORSVRKDPWNBV-UHFFFAOYSA-N
XLogP3.09
TPSA55.40 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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)acetamide
CID 1006478
N-(2-chlorophenyl)-2-[(4-methoxyphenyl)sulfanyl]acetamide
CID 1486402
N-(4-methoxyphenyl)-2-(phenylthio)propanamide
CID 2890263
3-(4-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 4879637
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
CID 1331007
2-[(4-fluorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486368
N-(4-methoxyphenyl)-4-phenylsulfanylbutanamide
CID 2115838
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)sulfonyl]propanamide
CID 3245482

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide (CID 1483400) is 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CS(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is NRORSVRKDPWNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-20-13-7-5-12(6-8-13)17-15(18)10-21(19)14-4-2-3-11(16)9-14/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide?
2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 323.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)sulfinyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1483400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).