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

C19H23ClN2O3S2 — CID 15945409

IUPAC3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3S2/c1-3-22(4-2)27(24,25)18-7-5-6-16(14-18)21-19(23)12-13-26-17-10-8-15(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyGNQPUMLOPMZMFD-UHFFFAOYSA-N
MW426.99 g/mol
LogP4.49
Rot. Bonds9

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

3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide (PubChem CID 15945409) has the molecular formula C19H23ClN2O3S2 and a molecular weight of 426.99 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide
PubChem CID15945409
Molecular FormulaC19H23ClN2O3S2
Molecular Weight426.99 g/mol
Exact Mass426.08
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H23ClN2O3S2/c1-3-22(4-2)27(24,25)18-7-5-6-16(14-18)21-19(23)12-13-26-17-10-8-15(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)
InChIKeyGNQPUMLOPMZMFD-UHFFFAOYSA-N
XLogP4.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-[ethyl(phenyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4881219
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-phenylsulfanylacetamide
CID 5021320
4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
CID 2818820
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
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 3575923
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide (CID 15945409) is 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)CCSc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide?
The InChIKey is GNQPUMLOPMZMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S2/c1-3-22(4-2)27(24,25)18-7-5-6-16(14-18)21-19(23)12-13-26-17-10-8-15(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide?
3-(4-chlorophenyl)sulfanyl-N-[3-(diethylsulfamoyl)phenyl]propanamide has a molecular weight of 426.99 g/mol, XLogP of 4.49, 9 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-(diethylsulfamoyl)phenyl]propanamide is sourced from PubChem (CID 15945409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).