N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide

C17H23FN4O2S — CID 119983754

IUPACN-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
SMILESNCC(NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C1CCCCC1
InChIInChI=1S/C17H23FN4O2S/c18-15-8-4-5-9-17(15)22-12-14(11-20-22)25(23,24)21-16(10-19)13-6-2-1-3-7-13/h4-5,8-9,11-13,16,21H,1-3,6-7,10,19H2
InChIKeyPXIBYNCJNCMXEV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.20
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide

N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide (PubChem CID 119983754) has the molecular formula C17H23FN4O2S and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
PubChem CID119983754
Molecular FormulaC17H23FN4O2S
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
SMILESNCC(NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C1CCCCC1
InChIInChI=1S/C17H23FN4O2S/c18-15-8-4-5-9-17(15)22-12-14(11-20-22)25(23,24)21-16(10-19)13-6-2-1-3-7-13/h4-5,8-9,11-13,16,21H,1-3,6-7,10,19H2
InChIKeyPXIBYNCJNCMXEV-UHFFFAOYSA-N
XLogP2.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide (CID 119983754) is N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide is NCC(NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
The InChIKey is PXIBYNCJNCMXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S/c18-15-8-4-5-9-17(15)22-12-14(11-20-22)25(23,24)21-16(10-19)13-6-2-1-3-7-13/h4-5,8-9,11-13,16,21H,1-3,6-7,10,19H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide?
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 119983754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).