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

C19H27FN4O2S — CID 59231247

IUPACN-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2ccn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)21-13-15-3-7-17(8-4-15)22-19-11-12-24(23-19)18-9-5-16(20)6-10-18/h5-6,9-12,14-15,17,21H,3-4,7-8,13H2,1-2H3,(H,22,23)
InChIKeyGBPYTLZQWVWEKY-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds7

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

N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide (PubChem CID 59231247) has the molecular formula C19H27FN4O2S and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
PubChem CID59231247
Molecular FormulaC19H27FN4O2S
Molecular Weight394.52 g/mol
Exact Mass394.18
IUPAC NameN-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCC1CCC(Nc2ccn(-c3ccc(F)cc3)n2)CC1
InChIInChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)21-13-15-3-7-17(8-4-15)22-19-11-12-24(23-19)18-9-5-16(20)6-10-18/h5-6,9-12,14-15,17,21H,3-4,7-8,13H2,1-2H3,(H,22,23)
InChIKeyGBPYTLZQWVWEKY-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-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The IUPAC name of N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide (CID 59231247) is N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide.
What is the SMILES notation for N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The canonical SMILES for N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCC1CCC(Nc2ccn(-c3ccc(F)cc3)n2)CC1.
What is the InChIKey of N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
The InChIKey is GBPYTLZQWVWEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2S/c1-14(2)27(25,26)21-13-15-3-7-17(8-4-15)22-19-11-12-24(23-19)18-9-5-16(20)6-10-18/h5-6,9-12,14-15,17,21H,3-4,7-8,13H2,1-2H3,(H,22,23).
What are the key properties of N-[[4-[[1-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide?
N-[[4-[[1-(4-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-(4-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]propane-2-sulfonamide is sourced from PubChem (CID 59231247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).