3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide

C17H19F2N3O3S2 — CID 9302673

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O3S2/c1-22(2)16-6-4-12(27(20,24)25)10-15(16)21-17(23)7-8-26-11-3-5-13(18)14(19)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyOIXYEKWSVBVIGC-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.80
Rot. Bonds7

About 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide

3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide (PubChem CID 9302673) has the molecular formula C17H19F2N3O3S2 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
PubChem CID9302673
Molecular FormulaC17H19F2N3O3S2
Molecular Weight415.49 g/mol
Exact Mass415.08
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide
SMILESCN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C17H19F2N3O3S2/c1-22(2)16-6-4-12(27(20,24)25)10-15(16)21-17(23)7-8-26-11-3-5-13(18)14(19)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H2,20,24,25)
InChIKeyOIXYEKWSVBVIGC-UHFFFAOYSA-N
XLogP2.80
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
CID 9257647
N-(2-fluoro-5-sulfamoylphenyl)-3-methylsulfanylpropanamide
CID 61129999
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
CID 9045097
N-(2-fluoro-5-sulfamoylphenyl)-3-methoxypropanamide
CID 62588775
[2-(dimethylamino)-5-sulfamoylphenyl]thiourea
CID 169357399
N-(2-fluoro-5-sulfamoylphenyl)-2-methylsulfanylacetamide
CID 61129990
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
N-[2-(dimethylamino)-5-sulfamoylphenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9302637
2-(4-bromophenyl)sulfanyl-N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]acetamide
CID 25343529
N-cyano-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 79195397
3-ethoxy-N-(2-fluoro-4-sulfamoylphenyl)propanamide
CID 55091208
N-(1,3-benzodioxol-5-yl)-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 9042684

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide (CID 9302673) is 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide is CN(C)c1ccc(S(N)(=O)=O)cc1NC(=O)CCSc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide?
The InChIKey is OIXYEKWSVBVIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3S2/c1-22(2)16-6-4-12(27(20,24)25)10-15(16)21-17(23)7-8-26-11-3-5-13(18)14(19)9-11/h3-6,9-10H,7-8H2,1-2H3,(H,21,23)(H2,20,24,25).
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide?
3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide has a molecular weight of 415.49 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-[2-(dimethylamino)-5-sulfamoylphenyl]propanamide is sourced from PubChem (CID 9302673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).