N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride

C15H24ClN3O2S — CID 120724137

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCc1ccc2c(c1)CNC2)N1CCCCCC1
InChIInChI=1S/C15H23N3O2S.ClH/c19-21(20,18-7-3-1-2-4-8-18)17-10-13-5-6-14-11-16-12-15(14)9-13;/h5-6,9,16-17H,1-4,7-8,10-12H2;1H
InChIKeyDQLXKNUCHQHUMZ-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.92
Rot. Bonds4

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride (PubChem CID 120724137) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
PubChem CID120724137
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCc1ccc2c(c1)CNC2)N1CCCCCC1
InChIInChI=1S/C15H23N3O2S.ClH/c19-21(20,18-7-3-1-2-4-8-18)17-10-13-5-6-14-11-16-12-15(14)9-13;/h5-6,9,16-17H,1-4,7-8,10-12H2;1H
InChIKeyDQLXKNUCHQHUMZ-UHFFFAOYSA-N
XLogP1.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
CID 120724059
N-[(4-bromophenyl)methyl]azepane-1-sulfonamide
CID 55223918
N-[(4-aminophenyl)methyl]azepane-1-sulfonamide
CID 43604589
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
methyl N-(2,3-dihydro-1H-isoindol-5-ylmethylsulfamoyl)carbamate
CID 105357743
5-(azepan-1-ylsulfonyl)-2,3-dihydro-1H-isoindole
CID 107421717
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
5-[[[methyl(propan-2-yl)sulfamoyl]amino]methyl]-2,3-dihydro-1H-isoindole
CID 105357723
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-methylimidazole-4-sulfonamide;hydrochloride
CID 120724092

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride (CID 120724137) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride is Cl.O=S(=O)(NCc1ccc2c(c1)CNC2)N1CCCCCC1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride?
The InChIKey is DQLXKNUCHQHUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c19-21(20,18-7-3-1-2-4-8-18)17-10-13-5-6-14-11-16-12-15(14)9-13;/h5-6,9,16-17H,1-4,7-8,10-12H2;1H.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)azepane-1-sulfonamide;hydrochloride is sourced from PubChem (CID 120724137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).