N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide

C18H25FN4O2S — CID 59230641

IUPACN-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C18H25FN4O2S/c1-2-26(24,25)20-13-14-6-8-16(9-7-14)21-18-10-11-23(22-18)17-5-3-4-15(19)12-17/h3-5,10-12,14,16,20H,2,6-9,13H2,1H3,(H,21,22)
InChIKeyXYCRJFGMXUZBBF-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.92
Rot. Bonds7

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

N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide (PubChem CID 59230641) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
PubChem CID59230641
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC NameN-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1CCC(Nc2ccn(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C18H25FN4O2S/c1-2-26(24,25)20-13-14-6-8-16(9-7-14)21-18-10-11-23(22-18)17-5-3-4-15(19)12-17/h3-5,10-12,14,16,20H,2,6-9,13H2,1H3,(H,21,22)
InChIKeyXYCRJFGMXUZBBF-UHFFFAOYSA-N
XLogP2.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.92
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]ethanesulfonamide?
The IUPAC name of N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide (CID 59230641) is N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide is CCS(=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]ethanesulfonamide?
The InChIKey is XYCRJFGMXUZBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-2-26(24,25)20-13-14-6-8-16(9-7-14)21-18-10-11-23(22-18)17-5-3-4-15(19)12-17/h3-5,10-12,14,16,20H,2,6-9,13H2,1H3,(H,21,22).
What are the key properties of N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide?
N-[[4-[[1-(3-fluorophenyl)pyrazol-3-yl]amino]cyclohexyl]methyl]ethanesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.92, 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]ethanesulfonamide is sourced from PubChem (CID 59230641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).