N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide

C10H17F2N3O4S — CID 171507577

IUPACN-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(CC(F)F)C(C)=O)CC1
InChIInChI=1S/C10H17F2N3O4S/c1-8(16)13-3-5-14(6-4-13)20(18,19)15(9(2)17)7-10(11)12/h10H,3-7H2,1-2H3
InChIKeyBPHWXKBMPGXNTR-UHFFFAOYSA-N
MW313.33 g/mol
LogP-0.49
Rot. Bonds4

About N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide

N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide (PubChem CID 171507577) has the molecular formula C10H17F2N3O4S and a molecular weight of 313.33 g/mol. Its IUPAC name is N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound NameN-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide
PubChem CID171507577
Molecular FormulaC10H17F2N3O4S
Molecular Weight313.33 g/mol
Exact Mass313.09
IUPAC NameN-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide
SMILESCC(=O)N1CCN(S(=O)(=O)N(CC(F)F)C(C)=O)CC1
InChIInChI=1S/C10H17F2N3O4S/c1-8(16)13-3-5-14(6-4-13)20(18,19)15(9(2)17)7-10(11)12/h10H,3-7H2,1-2H3
InChIKeyBPHWXKBMPGXNTR-UHFFFAOYSA-N
XLogP-0.49
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide (CID 171507577) is N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide is CC(=O)N1CCN(S(=O)(=O)N(CC(F)F)C(C)=O)CC1.
What is the InChIKey of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide?
The InChIKey is BPHWXKBMPGXNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O4S/c1-8(16)13-3-5-14(6-4-13)20(18,19)15(9(2)17)7-10(11)12/h10H,3-7H2,1-2H3.
What are the key properties of N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide?
N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide has a molecular weight of 313.33 g/mol, XLogP of -0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 171507577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).