N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride

C19H23ClFN3O3S — CID 119985454

IUPACN-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O3S.ClH/c20-15-6-4-13(5-7-15)19(24)22-16-8-10-17(11-9-16)27(25,26)23-18-3-1-2-14(18)12-21;/h4-11,14,18,23H,1-3,12,21H2,(H,22,24);1H
InChIKeyLPWQMHFPGFTUSU-UHFFFAOYSA-N
MW427.93 g/mol
LogP2.91
Rot. Bonds6

About N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride

N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride (PubChem CID 119985454) has the molecular formula C19H23ClFN3O3S and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride
PubChem CID119985454
Molecular FormulaC19H23ClFN3O3S
Molecular Weight427.93 g/mol
Exact Mass427.11
IUPAC NameN-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride
SMILESCl.NCC1CCCC1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FN3O3S.ClH/c20-15-6-4-13(5-7-15)19(24)22-16-8-10-17(11-9-16)27(25,26)23-18-3-1-2-14(18)12-21;/h4-11,14,18,23H,1-3,12,21H2,(H,22,24);1H
InChIKeyLPWQMHFPGFTUSU-UHFFFAOYSA-N
XLogP2.91
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.93
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cycloheptylsulfamoyl)-N-(4-fluorophenyl)benzamide
CID 109061223
N-[2-(aminomethyl)cyclopentyl]-4-benzamidobenzamide;hydrochloride
CID 119603744
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)sulfamoyl]phenyl]benzamide
CID 120724923
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide;hydrochloride
CID 119601298
4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-N,N-diethylbenzamide;hydrochloride
CID 119986423
N-[2-(aminomethyl)cyclohexyl]-3,5-difluorobenzenesulfonamide;hydrochloride
CID 119986072
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
N-[2-(aminomethyl)cyclopentyl]-4-(methylsulfamoyl)benzamide
CID 119601299
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656
N-[2-(aminomethyl)cyclopentyl]-4-methoxybenzenesulfonamide;hydrochloride
CID 119985790
N-[4-[3-(aminomethyl)pentan-3-ylsulfamoyl]phenyl]-4-fluorobenzamide
CID 119981123
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride?
The IUPAC name of N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride (CID 119985454) is N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride.
What is the SMILES notation for N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride?
The canonical SMILES for N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride is Cl.NCC1CCCC1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride?
The InChIKey is LPWQMHFPGFTUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S.ClH/c20-15-6-4-13(5-7-15)19(24)22-16-8-10-17(11-9-16)27(25,26)23-18-3-1-2-14(18)12-21;/h4-11,14,18,23H,1-3,12,21H2,(H,22,24);1H.
What are the key properties of N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride?
N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]phenyl]-4-fluorobenzamide;hydrochloride is sourced from PubChem (CID 119985454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).