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

C16H18N2O2S — CID 43808517

IUPAC3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc3c2CCNC3)c1
InChIInChI=1S/C16H18N2O2S/c1-12-4-2-6-14(10-12)21(19,20)18-16-7-3-5-13-11-17-9-8-15(13)16/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyKKCOICREEYVOJE-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.44
Rot. Bonds3

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

3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide (PubChem CID 43808517) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
PubChem CID43808517
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc3c2CCNC3)c1
InChIInChI=1S/C16H18N2O2S/c1-12-4-2-6-14(10-12)21(19,20)18-16-7-3-5-13-11-17-9-8-15(13)16/h2-7,10,17-18H,8-9,11H2,1H3
InChIKeyKKCOICREEYVOJE-UHFFFAOYSA-N
XLogP2.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide
CID 80547847
N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 21271748
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 5104116
5-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959084
4-methyl-2-oxo-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-3H-1,3-thiazole-5-sulfonamide
CID 80547490
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
N-[2-(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)phenyl]benzenesulfonamide
CID 70880021
N-(2-iodophenyl)-3-methylbenzenesulfonamide
CID 47104358
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)-2H-[1,2,5]thiadiazolo[2,3-a]pyridine-4-sulfonamide
CID 67984398
5-ethyl-2-methoxy-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide;hydrochloride
CID 69076668
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide (CID 43808517) is 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc3c2CCNC3)c1.
What is the InChIKey of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
The InChIKey is KKCOICREEYVOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-4-2-6-14(10-12)21(19,20)18-16-7-3-5-13-11-17-9-8-15(13)16/h2-7,10,17-18H,8-9,11H2,1H3.
What are the key properties of 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide?
3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide has a molecular weight of 302.40 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)benzenesulfonamide is sourced from PubChem (CID 43808517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).