5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide

C13H14N2O2S2 — CID 56862802

IUPAC5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc3c2CCNC3)s1
InChIInChI=1S/C13H14N2O2S2/c14-19(16,17)13-5-4-12(18-13)11-3-1-2-9-8-15-7-6-10(9)11/h1-5,15H,6-8H2,(H2,14,16,17)
InChIKeyPEWHSARDQGSBFR-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.71
Rot. Bonds2

About 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide

5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide (PubChem CID 56862802) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide
PubChem CID56862802
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cccc3c2CCNC3)s1
InChIInChI=1S/C13H14N2O2S2/c14-19(16,17)13-5-4-12(18-13)11-3-1-2-9-8-15-7-6-10(9)11/h1-5,15H,6-8H2,(H2,14,16,17)
InChIKeyPEWHSARDQGSBFR-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 112756658
5-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959084
5-(3,5-dimethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 56866430
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1H-pyridin-2-one
CID 56869022
4-methyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenol
CID 56862165
5-pyridin-3-yl-1,2,3,4-tetrahydroisoquinoline
CID 56863104
8-(sulfamoylamino)-1,2,3,4-tetrahydroisoquinoline
CID 114959099
1-methylsulfonyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)methanesulfonamide
CID 82842529
2-methylpropane;5-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145042992
N-methyl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 110209411
1-[2-hydroxy-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenyl]ethanone
CID 56875605
5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
CID 43153962

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide (CID 56862802) is 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(-c2cccc3c2CCNC3)s1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide?
The InChIKey is PEWHSARDQGSBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c14-19(16,17)13-5-4-12(18-13)11-3-1-2-9-8-15-7-6-10(9)11/h1-5,15H,6-8H2,(H2,14,16,17).
What are the key properties of 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide?
5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide has a molecular weight of 294.40 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroisoquinolin-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 56862802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).