3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide

C13H20FN3O5S2 — CID 110631787

IUPAC3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H20FN3O5S2/c1-10(13(18)16-6-7-23(19,20)15-2)9-24(21,22)17-12-5-3-4-11(14)8-12/h3-5,8,10,15,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyOSDMXFZZJRXNFB-UHFFFAOYSA-N
MW381.45 g/mol
LogP-0.13
Rot. Bonds9

About 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide

3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide (PubChem CID 110631787) has the molecular formula C13H20FN3O5S2 and a molecular weight of 381.45 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
PubChem CID110631787
Molecular FormulaC13H20FN3O5S2
Molecular Weight381.45 g/mol
Exact Mass381.08
IUPAC Name3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide
SMILESCNS(=O)(=O)CCNC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1
InChIInChI=1S/C13H20FN3O5S2/c1-10(13(18)16-6-7-23(19,20)15-2)9-24(21,22)17-12-5-3-4-11(14)8-12/h3-5,8,10,15,17H,6-7,9H2,1-2H3,(H,16,18)
InChIKeyOSDMXFZZJRXNFB-UHFFFAOYSA-N
XLogP-0.13
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-fluorophenyl)sulfamoyl]-N-(2-hydroxy-2-methylpropyl)-2-methylpropanamide
CID 110626814
3-[(3-fluorophenyl)sulfamoyl]-N-(4-methoxybutyl)-2-methylpropanamide
CID 110610179
3-[(3-fluorophenyl)sulfamoyl]-N-[3-(4-hydroxyphenyl)propyl]-2-methylpropanamide
CID 110612014
3-[(3-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylpropanamide
CID 110417500
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110426408
N-(4-chloro-2-methylphenyl)-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110420926
N-[(3-cyclopropyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-3-[(3-fluorophenyl)sulfamoyl]-2-methylpropanamide
CID 110634102
N-[2-(2-fluorophenyl)ethyl]-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110411072
3-[(2,4-difluorophenyl)sulfamoyl]-2-methyl-N-(3-methylbutyl)propanamide
CID 110674439
N-(2,6-difluorophenyl)-3-[(3-methoxyphenyl)sulfamoyl]-2-methylpropanamide
CID 110428867
N-(3-fluorophenyl)-2-methyl-3-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropane-1-sulfonamide
CID 110609311
N-(3-fluorophenyl)-1-(methylamino)propane-2-sulfonamide
CID 106060646

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide?
The IUPAC name of 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide (CID 110631787) is 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide.
What is the SMILES notation for 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide?
The canonical SMILES for 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide is CNS(=O)(=O)CCNC(=O)C(C)CS(=O)(=O)Nc1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide?
The InChIKey is OSDMXFZZJRXNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O5S2/c1-10(13(18)16-6-7-23(19,20)15-2)9-24(21,22)17-12-5-3-4-11(14)8-12/h3-5,8,10,15,17H,6-7,9H2,1-2H3,(H,16,18).
What are the key properties of 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide?
3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide has a molecular weight of 381.45 g/mol, XLogP of -0.13, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)sulfamoyl]-2-methyl-N-[2-(methylsulfamoyl)ethyl]propanamide is sourced from PubChem (CID 110631787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).