N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

C9H16F3NO3S — CID 83059843

IUPACN-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCO)C1CC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-1-7-17(15,16)13(5-6-14)8-2-3-8/h8,14H,1-7H2
InChIKeyMPANPODYOLVZEG-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.12
Rot. Bonds7

About N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide

N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide (PubChem CID 83059843) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
PubChem CID83059843
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC NameN-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)N(CCO)C1CC1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-1-7-17(15,16)13(5-6-14)8-2-3-8/h8,14H,1-7H2
InChIKeyMPANPODYOLVZEG-UHFFFAOYSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1,1-difluoro-N-(2-hydroxyethyl)methanesulfonamide
CID 43577621
N-cyclopropyl-1,1,1-trifluoro-N-(2-hydroxyethyl)methanesulfonamide
CID 43577645
1,1-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylmethanesulfonamide
CID 61583011
1-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 65735696
N-cyclopropyl-1-hydroxy-N-(2,2,2-trifluoroethyl)propane-2-sulfonamide
CID 65736460
N-cyclopropyl-2-hydroxy-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 65736651
3-hydroxy-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 65737231
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 65737417
N-cyclopropyl-3-hydroxy-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 65737993
N-ethyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide
CID 83057920
4,4,4-trifluoro-N-(3-hydroxypropyl)-N-propan-2-ylbutane-1-sulfonamide
CID 83058228
4,4,4-trifluoro-N,N-bis(2-hydroxyethyl)butane-1-sulfonamide
CID 83058513

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide (CID 83059843) is N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
The InChIKey is MPANPODYOLVZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)4-1-7-17(15,16)13(5-6-14)8-2-3-8/h8,14H,1-7H2.
What are the key properties of N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide?
N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide has a molecular weight of 275.29 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4,4-trifluoro-N-(2-hydroxyethyl)butane-1-sulfonamide is sourced from PubChem (CID 83059843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).