N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide

C9H18F2N2O4S — CID 177087481

IUPACN-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide
SMILESCC(C)(C)NS(=O)(=O)CCNC(=O)C(F)(F)CO
InChIInChI=1S/C9H18F2N2O4S/c1-8(2,3)13-18(16,17)5-4-12-7(15)9(10,11)6-14/h13-14H,4-6H2,1-3H3,(H,12,15)
InChIKeyILBUDVVBFVURIB-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.55
Rot. Bonds6

About N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide

N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide (PubChem CID 177087481) has the molecular formula C9H18F2N2O4S and a molecular weight of 288.32 g/mol. Its IUPAC name is N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide
PubChem CID177087481
Molecular FormulaC9H18F2N2O4S
Molecular Weight288.32 g/mol
Exact Mass288.10
IUPAC NameN-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide
SMILESCC(C)(C)NS(=O)(=O)CCNC(=O)C(F)(F)CO
InChIInChI=1S/C9H18F2N2O4S/c1-8(2,3)13-18(16,17)5-4-12-7(15)9(10,11)6-14/h13-14H,4-6H2,1-3H3,(H,12,15)
InChIKeyILBUDVVBFVURIB-UHFFFAOYSA-N
XLogP-0.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide?
The IUPAC name of N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide (CID 177087481) is N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide.
What is the SMILES notation for N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide?
The canonical SMILES for N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide is CC(C)(C)NS(=O)(=O)CCNC(=O)C(F)(F)CO.
What is the InChIKey of N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide?
The InChIKey is ILBUDVVBFVURIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O4S/c1-8(2,3)13-18(16,17)5-4-12-7(15)9(10,11)6-14/h13-14H,4-6H2,1-3H3,(H,12,15).
What are the key properties of N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide?
N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide has a molecular weight of 288.32 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylsulfamoyl)ethyl]-2,2-difluoro-3-hydroxypropanamide is sourced from PubChem (CID 177087481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).