N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

C13H17F3N2O3S — CID 59497782

IUPACN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)12-6-5-10(7-17-12)22(20,21)18-11-4-2-1-3-9(11)8-19/h5-7,9,11,18-19H,1-4,8H2/t9-,11+/m0/s1
InChIKeyDWCWEFNPLMFTTB-GXSJLCMTSA-N
MW338.35 g/mol
LogP1.93
Rot. Bonds4

About N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide

N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 59497782) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID59497782
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC NameN-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(N[C@@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H17F3N2O3S/c14-13(15,16)12-6-5-10(7-17-12)22(20,21)18-11-4-2-1-3-9(11)8-19/h5-7,9,11,18-19H,1-4,8H2/t9-,11+/m0/s1
InChIKeyDWCWEFNPLMFTTB-GXSJLCMTSA-N
XLogP1.93
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide (CID 59497782) is N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is O=S(=O)(N[C@@H]1CCCC[C@H]1CO)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is DWCWEFNPLMFTTB-GXSJLCMTSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c14-13(15,16)12-6-5-10(7-17-12)22(20,21)18-11-4-2-1-3-9(11)8-19/h5-7,9,11,18-19H,1-4,8H2/t9-,11+/m0/s1.
What are the key properties of N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide?
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 338.35 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-6-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 59497782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).