N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide

C16H16ClNO2S — CID 78797054

IUPACN-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
SMILESCC(NC(=O)c1ccc(S(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11(12-3-7-14(17)8-4-12)18-16(19)13-5-9-15(10-6-13)21(2)20/h3-11H,1-2H3,(H,18,19)
InChIKeyIZXNZPBIHLLWRH-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.57
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide

N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide (PubChem CID 78797054) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
PubChem CID78797054
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
SMILESCC(NC(=O)c1ccc(S(C)=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2S/c1-11(12-3-7-14(17)8-4-12)18-16(19)13-5-9-15(10-6-13)21(2)20/h3-11H,1-2H3,(H,18,19)
InChIKeyIZXNZPBIHLLWRH-UHFFFAOYSA-N
XLogP3.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[1-(2-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 51185029
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
N-[1-(4-chlorophenyl)ethyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 50739977
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 8623654
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[(4-chlorophenyl)sulfanylmethyl]benzamide
CID 7948805
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide (CID 78797054) is N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide is CC(NC(=O)c1ccc(S(C)=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide?
The InChIKey is IZXNZPBIHLLWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c1-11(12-3-7-14(17)8-4-12)18-16(19)13-5-9-15(10-6-13)21(2)20/h3-11H,1-2H3,(H,18,19).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide?
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide has a molecular weight of 321.83 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide is sourced from PubChem (CID 78797054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).