N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride

C15H17ClN2O2S — CID 21271748

IUPACN-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cccc2c1CCNC2)c1ccccc1
InChIInChI=1S/C15H16N2O2S.ClH/c18-20(19,13-6-2-1-3-7-13)17-15-8-4-5-12-11-16-10-9-14(12)15;/h1-8,16-17H,9-11H2;1H
InChIKeyREQQQHKROSETCC-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.55
Rot. Bonds3

About N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride

N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride (PubChem CID 21271748) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
PubChem CID21271748
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Nc1cccc2c1CCNC2)c1ccccc1
InChIInChI=1S/C15H16N2O2S.ClH/c18-20(19,13-6-2-1-3-7-13)17-15-8-4-5-12-11-16-10-9-14(12)15;/h1-8,16-17H,9-11H2;1H
InChIKeyREQQQHKROSETCC-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 43808517
3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 80547847
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
5-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959084
4-fluoro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)naphthalene-1-sulfonamide;hydrochloride
CID 67985273
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
1-cyclohexyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 61454005
5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 69076668
N-[(6S)-6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 24777062
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4-sulfonamide;hydrochloride
CID 67984397
N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 110209411
1,1-dioxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiolane-3-sulfonamide
CID 80547650

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride (CID 21271748) is N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(Nc1cccc2c1CCNC2)c1ccccc1.
What is the InChIKey of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
The InChIKey is REQQQHKROSETCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S.ClH/c18-20(19,13-6-2-1-3-7-13)17-15-8-4-5-12-11-16-10-9-14(12)15;/h1-8,16-17H,9-11H2;1H.
What are the key properties of N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride?
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride has a molecular weight of 324.83 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 21271748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).