N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide

C15H30F3NO2S — CID 155468035

IUPACN-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide
SMILESCCC(C)NS(=O)(=O)C(CC)(CC)C(F)(F)C(F)(CC)CC
InChIInChI=1S/C15H30F3NO2S/c1-7-12(6)19-22(20,21)14(10-4,11-5)15(17,18)13(16,8-2)9-3/h12,19H,7-11H2,1-6H3
InChIKeySVWIGDRHQSCZCA-UHFFFAOYSA-N
MW345.47 g/mol
LogP4.43
Rot. Bonds10

About N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide

N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide (PubChem CID 155468035) has the molecular formula C15H30F3NO2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide
PubChem CID155468035
Molecular FormulaC15H30F3NO2S
Molecular Weight345.47 g/mol
Exact Mass345.19
IUPAC NameN-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide
SMILESCCC(C)NS(=O)(=O)C(CC)(CC)C(F)(F)C(F)(CC)CC
InChIInChI=1S/C15H30F3NO2S/c1-7-12(6)19-22(20,21)14(10-4,11-5)15(17,18)13(16,8-2)9-3/h12,19H,7-11H2,1-6H3
InChIKeySVWIGDRHQSCZCA-UHFFFAOYSA-N
XLogP4.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide?
The IUPAC name of N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide (CID 155468035) is N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide.
What is the SMILES notation for N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide?
The canonical SMILES for N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide is CCC(C)NS(=O)(=O)C(CC)(CC)C(F)(F)C(F)(CC)CC.
What is the InChIKey of N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide?
The InChIKey is SVWIGDRHQSCZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO2S/c1-7-12(6)19-22(20,21)14(10-4,11-5)15(17,18)13(16,8-2)9-3/h12,19H,7-11H2,1-6H3.
What are the key properties of N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide?
N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide has a molecular weight of 345.47 g/mol, XLogP of 4.43, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,5-diethyl-4,4,5-trifluoroheptane-3-sulfonamide is sourced from PubChem (CID 155468035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).