3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

C12H14F3NO3S — CID 106217621

IUPAC3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H14F3NO3S/c1-8(17)9-3-2-4-10(7-9)20(18,19)16-11(5-6-11)12(13,14)15/h2-4,7-8,16-17H,5-6H2,1H3
InChIKeyKTTBGTYDTRDEMB-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.11
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide

3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (PubChem CID 106217621) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
PubChem CID106217621
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
SMILESCC(O)c1cccc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C12H14F3NO3S/c1-8(17)9-3-2-4-10(7-9)20(18,19)16-11(5-6-11)12(13,14)15/h2-4,7-8,16-17H,5-6H2,1H3
InChIKeyKTTBGTYDTRDEMB-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(1-hydroxyethyl)phenyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106217887
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
4-bromo-3-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106214877
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
3-(3-aminoprop-1-ynyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106217883
3-(1-hydroxyethyl)-N-(4-iodophenyl)benzenesulfonamide
CID 43507196
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
3-(1-hydroxyethyl)-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80743981
2-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-4-sulfonamide
CID 106211293
2-bromo-5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]benzoic acid
CID 106209132
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485862
1-[3-(1-hydroxyethyl)phenyl]sulfonylpyrrolidine-3,4-diol
CID 106672758

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide (CID 106217621) is 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is CC(O)c1cccc(S(=O)(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
The InChIKey is KTTBGTYDTRDEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-8(17)9-3-2-4-10(7-9)20(18,19)16-11(5-6-11)12(13,14)15/h2-4,7-8,16-17H,5-6H2,1H3.
What are the key properties of 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide?
3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide has a molecular weight of 309.31 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide is sourced from PubChem (CID 106217621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).