N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide

C12H16F3NO5S2 — CID 100675221

IUPACN-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESC[C@H](CCCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H16F3NO5S2/c1-9(5-4-8-17)16-23(20,21)11-7-3-2-6-10(11)22(18,19)12(13,14)15/h2-3,6-7,9,16-17H,4-5,8H2,1H3/t9-/m1/s1
InChIKeyUURQMDNNDJYPEL-SECBINFHSA-N
MW375.39 g/mol
LogP1.42
Rot. Bonds7

About N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide

N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide (PubChem CID 100675221) has the molecular formula C12H16F3NO5S2 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide
PubChem CID100675221
Molecular FormulaC12H16F3NO5S2
Molecular Weight375.39 g/mol
Exact Mass375.04
IUPAC NameN-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide
SMILESC[C@H](CCCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H16F3NO5S2/c1-9(5-4-8-17)16-23(20,21)11-7-3-2-6-10(11)22(18,19)12(13,14)15/h2-3,6-7,9,16-17H,4-5,8H2,1H3/t9-/m1/s1
InChIKeyUURQMDNNDJYPEL-SECBINFHSA-N
XLogP1.42
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720
N-(5-bromopentan-2-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 114294910
N-hexan-2-yl-2-(trifluoromethylsulfonyl)aniline
CID 63541038
2-hydroxy-N-octan-2-ylbenzenesulfonamide
CID 81241205
3-amino-5-chloro-2-fluoro-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 103051806
3-bromo-5-(5-hydroxypentan-2-ylsulfamoyl)-4-methylbenzoic acid
CID 81480074
2-chloro-5-cyano-N-(5-hydroxypentan-2-yl)benzenesulfonamide
CID 80704020
1-(4-chlorobutan-2-ylsulfonyl)-2-(trifluoromethylsulfonyl)benzene
CID 66135889
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
CID 61362995
(3R)-3-[[2-(trifluoromethylsulfonyl)anilino]methyl]pentan-1-ol
CID 95975669
N-(4-chlorobutan-2-yl)-2-(trifluoromethylsulfonyl)aniline
CID 83187895
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide (CID 100675221) is N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide is C[C@H](CCCO)NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide?
The InChIKey is UURQMDNNDJYPEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16F3NO5S2/c1-9(5-4-8-17)16-23(20,21)11-7-3-2-6-10(11)22(18,19)12(13,14)15/h2-3,6-7,9,16-17H,4-5,8H2,1H3/t9-/m1/s1.
What are the key properties of N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide?
N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide has a molecular weight of 375.39 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-5-hydroxypentan-2-yl]-2-(trifluoromethylsulfonyl)benzenesulfonamide is sourced from PubChem (CID 100675221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).