N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide

C19H27FN4O2S — CID 59231201

IUPACN-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccn(-c3ccccc3F)n2)CC1
InChIInChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)23-16-9-7-15(8-10-16)13-21-19-11-12-24(22-19)18-6-4-3-5-17(18)20/h3-6,11-12,14-16,23H,7-10,13H2,1-2H3,(H,21,22)
InChIKeyXRTVOXSXIQXKOD-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds7

About N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide

N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide (PubChem CID 59231201) has the molecular formula C19H27FN4O2S and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
PubChem CID59231201
Molecular FormulaC19H27FN4O2S
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC NameN-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCC(CNc2ccn(-c3ccccc3F)n2)CC1
InChIInChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)23-16-9-7-15(8-10-16)13-21-19-11-12-24(22-19)18-6-4-3-5-17(18)20/h3-6,11-12,14-16,23H,7-10,13H2,1-2H3,(H,21,22)
InChIKeyXRTVOXSXIQXKOD-UHFFFAOYSA-N
XLogP3.31
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide (CID 59231201) is N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCC(CNc2ccn(-c3ccccc3F)n2)CC1.
What is the InChIKey of N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
The InChIKey is XRTVOXSXIQXKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)23-16-9-7-15(8-10-16)13-21-19-11-12-24(22-19)18-6-4-3-5-17(18)20/h3-6,11-12,14-16,23H,7-10,13H2,1-2H3,(H,21,22).
What are the key properties of N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide?
N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide has a molecular weight of 394.52 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[1-(2-fluorophenyl)pyrazol-3-yl]amino]methyl]cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 59231201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).