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

C19H27FN4O2S — CID 59230305

IUPACN-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)21-13-15-6-8-17(9-7-15)22-19-10-11-24(23-19)18-5-3-4-16(20)12-18/h3-5,10-12,14-15,17,21H,6-9,13H2,1-2H3,(H,22,23)
InChIKeyPLHUIUHZFBMSOP-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds7

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

N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 59230305) has the molecular formula C19H27FN4O2S and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID59230305
Molecular FormulaC19H27FN4O2S
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC NameN-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)21-13-15-6-8-17(9-7-15)22-19-10-11-24(23-19)18-5-3-4-16(20)12-18/h3-5,10-12,14-15,17,21H,6-9,13H2,1-2H3,(H,22,23)
InChIKeyPLHUIUHZFBMSOP-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-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 59230305) is N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is PLHUIUHZFBMSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)21-13-15-6-8-17(9-7-15)22-19-10-11-24(23-19)18-5-3-4-16(20)12-18/h3-5,10-12,14-15,17,21H,6-9,13H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]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-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 59230305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).