N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride

C18H28ClN3O4S — CID 119565502

IUPACN-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CCCC1
InChIInChI=1S/C18H27N3O4S.ClH/c19-13-18(9-1-2-10-18)21-17(22)14-5-7-16(8-6-14)26(23,24)20-12-15-4-3-11-25-15;/h5-8,15,20H,1-4,9-13,19H2,(H,21,22);1H
InChIKeyBWYSIHIHUWRGLD-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.57
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride (PubChem CID 119565502) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
PubChem CID119565502
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CCCC1
InChIInChI=1S/C18H27N3O4S.ClH/c19-13-18(9-1-2-10-18)21-17(22)14-5-7-16(8-6-14)26(23,24)20-12-15-4-3-11-25-15;/h5-8,15,20H,1-4,9-13,19H2,(H,21,22);1H
InChIKeyBWYSIHIHUWRGLD-UHFFFAOYSA-N
XLogP1.57
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
N-(1-adamantyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 34239048
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
N-[(2S)-1-aminopropan-2-yl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 120508941
N-[2-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119601403
4-acetyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 3401907
1-amino-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119736096
N-[1-(aminomethyl)cyclopentyl]-4-(2-methylpropylsulfamoyl)benzamide
CID 119566905
N-(2-acetamidoethyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 41129794
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
N-(4-hydroxybutyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 100703871
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9224830

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride (CID 119565502) is N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride is Cl.NCC1(NC(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
The InChIKey is BWYSIHIHUWRGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c19-13-18(9-1-2-10-18)21-17(22)14-5-7-16(8-6-14)26(23,24)20-12-15-4-3-11-25-15;/h5-8,15,20H,1-4,9-13,19H2,(H,21,22);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119565502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).