3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide

C17H19ClN2O3S2 — CID 4780661

IUPAC3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-20(2)25(22,23)16-5-3-4-14(12-16)19-17(21)10-11-24-15-8-6-13(18)7-9-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyNJHQOVCHTNOTSL-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.71
Rot. Bonds7

About 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide

3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide (PubChem CID 4780661) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
PubChem CID4780661
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClN2O3S2/c1-20(2)25(22,23)16-5-3-4-14(12-16)19-17(21)10-11-24-15-8-6-13(18)7-9-15/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyNJHQOVCHTNOTSL-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
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1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
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2-(4-chlorophenyl)sulfanyl-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]acetamide
CID 2963778
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate
CID 3285585
3-[(4-chlorophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3423814
3-(2-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4213399
3-(4-chlorophenyl)sulfonyl-N-(3-sulfamoylphenyl)propanamide
CID 4237823
3-(4-chlorophenyl)sulfanyl-N-(3-sulfamoylphenyl)propanamide
CID 4425333
2-phenylsulfanyl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4571967

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide (CID 4780661) is 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide is CN(C)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
The InChIKey is NJHQOVCHTNOTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-20(2)25(22,23)16-5-3-4-14(12-16)19-17(21)10-11-24-15-8-6-13(18)7-9-15/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide has a molecular weight of 398.94 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 4780661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).