N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide

C14H26F5NO2S — CID 147263516

IUPACN-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
SMILESCCCCN(CCC(C)C(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C14H26F5NO2S/c1-5-6-8-20(9-7-12(4)11(2)3)23(21,22)10-13(15,16)14(17,18)19/h11-12H,5-10H2,1-4H3
InChIKeyCPAMLAWNUKDCLU-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.30
Rot. Bonds10

About N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide

N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide (PubChem CID 147263516) has the molecular formula C14H26F5NO2S and a molecular weight of 367.42 g/mol. Its IUPAC name is N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
PubChem CID147263516
Molecular FormulaC14H26F5NO2S
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC NameN-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
SMILESCCCCN(CCC(C)C(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C14H26F5NO2S/c1-5-6-8-20(9-7-12(4)11(2)3)23(21,22)10-13(15,16)14(17,18)19/h11-12H,5-10H2,1-4H3
InChIKeyCPAMLAWNUKDCLU-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-(3,3-dimethylbutyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide
CID 18736075
N-butyl-2,2,2-trifluoro-N-propylethanesulfonamide
CID 89281546
(3R)-2,3-dimethylheptane;ethane
CID 163241846
2,3-dimethylheptane;ethane
CID 156648444
alumane;2,3-dimethylheptane
CID 174508099
N,N-dipentylethanesulfonamide
CID 3453334
azane;tributyl(methyl)phosphanium;trifluoromethanesulfonic acid
CID 174524240
2,3-dimethylnonacosane
CID 71331945
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
3-methyl-2-(3-methylheptan-2-ylsulfonyl)heptane
CID 141263749
2,3,14,15-tetramethylhenicosane
CID 123460288

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The IUPAC name of N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide (CID 147263516) is N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide.
What is the SMILES notation for N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The canonical SMILES for N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide is CCCCN(CCC(C)C(C)C)S(=O)(=O)CC(F)(F)C(F)(F)F.
What is the InChIKey of N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
The InChIKey is CPAMLAWNUKDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F5NO2S/c1-5-6-8-20(9-7-12(4)11(2)3)23(21,22)10-13(15,16)14(17,18)19/h11-12H,5-10H2,1-4H3.
What are the key properties of N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide?
N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide has a molecular weight of 367.42 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(3,4-dimethylpentyl)-2,2,3,3,3-pentafluoropropane-1-sulfonamide is sourced from PubChem (CID 147263516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).