N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide

C10H17F7N2O2S — CID 58901110

IUPACN-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F7N2O2S/c1-19(2)6-3-5-18-22(20,21)7-4-8(11,9(12,13)14)10(15,16)17/h18H,3-7H2,1-2H3
InChIKeyGQNNGJBGSUPSEI-UHFFFAOYSA-N
MW362.31 g/mol
LogP2.08
Rot. Bonds8

About N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide

N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide (PubChem CID 58901110) has the molecular formula C10H17F7N2O2S and a molecular weight of 362.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide
PubChem CID58901110
Molecular FormulaC10H17F7N2O2S
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC NameN-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide
SMILESCN(C)CCCNS(=O)(=O)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F7N2O2S/c1-19(2)6-3-5-18-22(20,21)7-4-8(11,9(12,13)14)10(15,16)17/h18H,3-7H2,1-2H3
InChIKeyGQNNGJBGSUPSEI-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide (CID 58901110) is N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide is CN(C)CCCNS(=O)(=O)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide?
The InChIKey is GQNNGJBGSUPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F7N2O2S/c1-19(2)6-3-5-18-22(20,21)7-4-8(11,9(12,13)14)10(15,16)17/h18H,3-7H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide?
N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide has a molecular weight of 362.31 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonamide is sourced from PubChem (CID 58901110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).