N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

C9H18F3NO3S — CID 107483761

IUPACN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-8(2)3-6-17(15,16)13(4-5-14)7-9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyOEGVHVAMQIZZMX-UHFFFAOYSA-N
MW277.31 g/mol
LogP1.22
Rot. Bonds7

About N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide

N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (PubChem CID 107483761) has the molecular formula C9H18F3NO3S and a molecular weight of 277.31 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
PubChem CID107483761
Molecular FormulaC9H18F3NO3S
Molecular Weight277.31 g/mol
Exact Mass277.10
IUPAC NameN-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
SMILESCC(C)CCS(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO3S/c1-8(2)3-6-17(15,16)13(4-5-14)7-9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyOEGVHVAMQIZZMX-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480985
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480045
N-(2-hydroxyethyl)-2-piperazin-1-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480979
3-hydroxy-N,N-bis(3-methylbutyl)propane-1-sulfonamide
CID 107871668
3-[propyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 60952154
2-[carboxymethyl(3-methylbutylsulfonyl)amino]acetic acid
CID 63858018
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
2-[3-methylbutylsulfonyl(2-methylpropyl)amino]acetic acid
CID 63856773
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-methylbutane-1-sulfonamide
CID 107493803
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-yloxyethanesulfonamide
CID 107483600
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107493058
[[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]amino]cyclopropane
CID 107483795

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide (CID 107483761) is N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is CC(C)CCS(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
The InChIKey is OEGVHVAMQIZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO3S/c1-8(2)3-6-17(15,16)13(4-5-14)7-9(10,11)12/h8,14H,3-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide?
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide has a molecular weight of 277.31 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide is sourced from PubChem (CID 107483761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).