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

C17H24ClFN4O2S — CID 119983753

IUPACN-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C1CCCCC1
InChIInChI=1S/C17H23FN4O2S.ClH/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;1H
InChIKeyRJCJAGFEWDSODC-UHFFFAOYSA-N
MW402.92 g/mol
LogP2.62
Rot. Bonds6

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

N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 119983753) has the molecular formula C17H24ClFN4O2S and a molecular weight of 402.92 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID119983753
Molecular FormulaC17H24ClFN4O2S
Molecular Weight402.92 g/mol
Exact Mass402.13
IUPAC NameN-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.NCC(NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C1CCCCC1
InChIInChI=1S/C17H23FN4O2S.ClH/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;1H
InChIKeyRJCJAGFEWDSODC-UHFFFAOYSA-N
XLogP2.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide
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N-(2-amino-1-cyclopropylethyl)-1-phenylpyrazole-4-sulfonamide
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N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-3-fluoropyridine-2-sulfonamide
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N-(2-amino-1-cyclohexylethyl)-2-phenylpyrimidine-5-sulfonamide;hydrochloride
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N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-sulfonamide;hydrochloride
CID 119983682
1-(2-fluorophenyl)-N-(2-methylpiperidin-4-yl)pyrazole-4-sulfonamide;hydrochloride
CID 120586182
N-(2-amino-1-cyclopentylethyl)-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 120584893
1-(2-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 119974341
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711275

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride (CID 119983753) is N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride is Cl.NCC(NS(=O)(=O)c1cnn(-c2ccccc2F)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is RJCJAGFEWDSODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2S.ClH/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;1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-1-(2-fluorophenyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 402.92 g/mol, XLogP of 2.62, 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;hydrochloride is sourced from PubChem (CID 119983753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).