3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide

C17H18F2N2O3S2 — CID 9257647

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCSc2ccc(F)c(F)c2)c1C
InChIInChI=1S/C17H18F2N2O3S2/c1-10-7-13(26(20,23)24)9-16(11(10)2)21-17(22)5-6-25-12-3-4-14(18)15(19)8-12/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyZMLTUXXRHMYXNJ-UHFFFAOYSA-N
MW400.47 g/mol
LogP3.35
Rot. Bonds6

About 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide

3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide (PubChem CID 9257647) has the molecular formula C17H18F2N2O3S2 and a molecular weight of 400.47 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
PubChem CID9257647
Molecular FormulaC17H18F2N2O3S2
Molecular Weight400.47 g/mol
Exact Mass400.07
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)CCSc2ccc(F)c(F)c2)c1C
InChIInChI=1S/C17H18F2N2O3S2/c1-10-7-13(26(20,23)24)9-16(11(10)2)21-17(22)5-6-25-12-3-4-14(18)15(19)8-12/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyZMLTUXXRHMYXNJ-UHFFFAOYSA-N
XLogP3.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
CID 9302673
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9045097
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141313
N-(2,3-dimethyl-5-sulfamoylphenyl)-4-phenoxybutanamide
CID 9141472
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
4-(3,4-dimethylphenyl)-N-(2,3-dimethyl-5-sulfamoylphenyl)-4-oxobutanamide
CID 9257617
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(2-fluorophenoxy)acetamide
CID 9141447
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55363757
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide (CID 9257647) is 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)CCSc2ccc(F)c(F)c2)c1C.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide?
The InChIKey is ZMLTUXXRHMYXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3S2/c1-10-7-13(26(20,23)24)9-16(11(10)2)21-17(22)5-6-25-12-3-4-14(18)15(19)8-12/h3-4,7-9H,5-6H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide?
3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide has a molecular weight of 400.47 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 9257647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).