N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride

C14H22ClFN2O4S2 — CID 120585234

IUPACN-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCC2)cc1F.Cl
InChIInChI=1S/C14H21FN2O4S2.ClH/c1-22(18,19)14-7-6-11(8-12(14)15)23(20,21)17-13(9-16)10-4-2-3-5-10;/h6-8,10,13,17H,2-5,9,16H2,1H3;1H
InChIKeyPUYXPMAZICRNDO-UHFFFAOYSA-N
MW400.93 g/mol
LogP1.45
Rot. Bonds6

About N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride

N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride (PubChem CID 120585234) has the molecular formula C14H22ClFN2O4S2 and a molecular weight of 400.93 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
PubChem CID120585234
Molecular FormulaC14H22ClFN2O4S2
Molecular Weight400.93 g/mol
Exact Mass400.07
IUPAC NameN-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride
SMILESCS(=O)(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCC2)cc1F.Cl
InChIInChI=1S/C14H21FN2O4S2.ClH/c1-22(18,19)14-7-6-11(8-12(14)15)23(20,21)17-13(9-16)10-4-2-3-5-10;/h6-8,10,13,17H,2-5,9,16H2,1H3;1H
InChIKeyPUYXPMAZICRNDO-UHFFFAOYSA-N
XLogP1.45
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2,4-difluorobenzenesulfonamide
CID 106737805
N-(2-amino-1-cyclopentylethyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120584913
N-(2-amino-1-cyclopentylethyl)-2,4,5-trifluorobenzenesulfonamide
CID 120584824
N-(2-amino-1-cyclopentylethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 106737796
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
CID 119983686
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602
N-(2-amino-1-cyclopentylethyl)-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120585169
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-(2-amino-1-cyclopropylethyl)-2,5-difluoro-4-methylbenzenesulfonamide;hydrochloride
CID 86780743

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride (CID 120585234) is N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride is CS(=O)(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCC2)cc1F.Cl.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
The InChIKey is PUYXPMAZICRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4S2.ClH/c1-22(18,19)14-7-6-11(8-12(14)15)23(20,21)17-13(9-16)10-4-2-3-5-10;/h6-8,10,13,17H,2-5,9,16H2,1H3;1H.
What are the key properties of N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride?
N-(2-amino-1-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 1.45, 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-cyclopentylethyl)-3-fluoro-4-methylsulfonylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120585234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).