4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide

C14H27F2N3O3S — CID 136536195

IUPAC4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(C(=O)CC(C)(F)F)CC1
InChIInChI=1S/C14H27F2N3O3S/c1-4-6-18(7-5-2)23(21,22)19-10-8-17(9-11-19)13(20)12-14(3,15)16/h4-12H2,1-3H3
InChIKeyXGNJOGHBTHZQIH-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.54
Rot. Bonds8

About 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide

4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide (PubChem CID 136536195) has the molecular formula C14H27F2N3O3S and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide
PubChem CID136536195
Molecular FormulaC14H27F2N3O3S
Molecular Weight355.45 g/mol
Exact Mass355.17
IUPAC Name4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)N1CCN(C(=O)CC(C)(F)F)CC1
InChIInChI=1S/C14H27F2N3O3S/c1-4-6-18(7-5-2)23(21,22)19-10-8-17(9-11-19)13(20)12-14(3,15)16/h4-12H2,1-3H3
InChIKeyXGNJOGHBTHZQIH-UHFFFAOYSA-N
XLogP1.54
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide?
The IUPAC name of 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide (CID 136536195) is 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide?
The canonical SMILES for 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide is CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CC(C)(F)F)CC1.
What is the InChIKey of 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide?
The InChIKey is XGNJOGHBTHZQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N3O3S/c1-4-6-18(7-5-2)23(21,22)19-10-8-17(9-11-19)13(20)12-14(3,15)16/h4-12H2,1-3H3.
What are the key properties of 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide?
4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide has a molecular weight of 355.45 g/mol, XLogP of 1.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutanoyl)-N,N-dipropylpiperazine-1-sulfonamide is sourced from PubChem (CID 136536195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).