N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride

C11H19ClF2N4O2S — CID 120711102

IUPACN-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C11H18F2N4O2S.ClH/c12-11(13)7-17-6-9(5-15-17)20(18,19)16-10-3-1-2-8(10)4-14;/h5-6,8,10-11,16H,1-4,7,14H2;1H
InChIKeyMCPABPJAKRZJCB-UHFFFAOYSA-N
MW344.82 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120711102) has the molecular formula C11H19ClF2N4O2S and a molecular weight of 344.82 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120711102
Molecular FormulaC11H19ClF2N4O2S
Molecular Weight344.82 g/mol
Exact Mass344.09
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1cnn(CC(F)F)c1
InChIInChI=1S/C11H18F2N4O2S.ClH/c12-11(13)7-17-6-9(5-15-17)20(18,19)16-10-3-1-2-8(10)4-14;/h5-6,8,10-11,16H,1-4,7,14H2;1H
InChIKeyMCPABPJAKRZJCB-UHFFFAOYSA-N
XLogP0.98
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.82
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-difluoroethyl)-N-piperidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707191
1-(2,2-difluoroethyl)-N-pyrrolidin-3-ylpyrazole-4-sulfonamide;hydrochloride
CID 120707652
N-[(1R,2R)-2-(aminomethyl)cyclohexyl]-1-(oxan-4-yl)pyrazole-4-sulfonamide
CID 124702095
N-[2-(aminomethyl)cyclohexyl]-1-phenylpyrazole-4-sulfonamide
CID 119986497
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3-fluorobenzenesulfonamide;hydrochloride
CID 120875272
N-(1-amino-2-methylpropan-2-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 120709265
N-[2-(aminomethyl)cyclopentyl]-2-[(1-methylpyrazol-4-yl)sulfonylamino]acetamide;hydrochloride
CID 119602098
N-[2-(aminomethyl)cyclopentyl]-1H-pyrazole-4-sulfonamide
CID 62955865
1-(2,2-difluoroethyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-sulfonamide
CID 120709011
1-(2-aminoethyl)-N-(2,3-dimethylcyclohexyl)pyrazole-4-sulfonamide
CID 106060239
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzenesulfonamide
CID 119986443

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride (CID 120711102) is N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1cnn(CC(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The InChIKey is MCPABPJAKRZJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2S.ClH/c12-11(13)7-17-6-9(5-15-17)20(18,19)16-10-3-1-2-8(10)4-14;/h5-6,8,10-11,16H,1-4,7,14H2;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 344.82 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide;hydrochloride is sourced from PubChem (CID 120711102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).