N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

C10H17BrF3NO2S — CID 83057950

IUPACN-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCCC1Br
InChIInChI=1S/C10H17BrF3NO2S/c11-8-4-1-2-5-9(8)15-18(16,17)7-3-6-10(12,13)14/h8-9,15H,1-7H2
InChIKeyXDPSARWGHXEYFK-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.95
Rot. Bonds5

About N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide

N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83057950) has the molecular formula C10H17BrF3NO2S and a molecular weight of 352.22 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83057950
Molecular FormulaC10H17BrF3NO2S
Molecular Weight352.22 g/mol
Exact Mass351.01
IUPAC NameN-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCCC1Br
InChIInChI=1S/C10H17BrF3NO2S/c11-8-4-1-2-5-9(8)15-18(16,17)7-3-6-10(12,13)14/h8-9,15H,1-7H2
InChIKeyXDPSARWGHXEYFK-UHFFFAOYSA-N
XLogP2.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide (CID 83057950) is N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCCCC1Br.
What is the InChIKey of N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XDPSARWGHXEYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2S/c11-8-4-1-2-5-9(8)15-18(16,17)7-3-6-10(12,13)14/h8-9,15H,1-7H2.
What are the key properties of N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide?
N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 352.22 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83057950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).