1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide

C13H14N2O2S — CID 175297331

IUPAC1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide
SMILESNS(=O)(=O)c1cccc2cc3c(cc12)CNCC3
InChIInChI=1S/C13H14N2O2S/c14-18(16,17)13-3-1-2-10-6-9-4-5-15-8-11(9)7-12(10)13/h1-3,6-7,15H,4-5,8H2,(H2,14,16,17)
InChIKeyZPGGDGHOKDUQHZ-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.13
Rot. Bonds1

About 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide

1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide (PubChem CID 175297331) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide.

Molecular Properties

Compound Name1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide
PubChem CID175297331
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide
SMILESNS(=O)(=O)c1cccc2cc3c(cc12)CNCC3
InChIInChI=1S/C13H14N2O2S/c14-18(16,17)13-3-1-2-10-6-9-4-5-15-8-11(9)7-12(10)13/h1-3,6-7,15H,4-5,8H2,(H2,14,16,17)
InChIKeyZPGGDGHOKDUQHZ-UHFFFAOYSA-N
XLogP1.13
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroisoquinoline-5-sulfonamide;hydrochloride
CID 112756658
azane;naphthalene-1-sulfonamide
CID 174765300
6-chloro-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 54262102
1,2,3,4-tetrahydropyrido[3,4-b]acridine
CID 87973944
2-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)benzenesulfonamide
CID 63100541
sulfuric acid;bis(1,2,3,4-tetrahydroisoquinoline)
CID 175785291
acridine-1-sulfonamide;methane
CID 175223861
7-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-5-sulfonamide
CID 156572232
5-chloro-3-methylnaphthalene-2-sulfonamide
CID 20773244
2-(2,3-dihydro-1H-isoindol-5-ylmethylamino)benzenesulfonamide
CID 105357791
7-methylsulfonyl-1,2,3,4-tetrahydroisoquinoline
CID 23336575
5-ethyl-1,2,3,4-tetrahydroanthracene
CID 141269354

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide?
The IUPAC name of 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide (CID 175297331) is 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide.
What is the SMILES notation for 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide?
The canonical SMILES for 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide is NS(=O)(=O)c1cccc2cc3c(cc12)CNCC3.
What is the InChIKey of 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide?
The InChIKey is ZPGGDGHOKDUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-18(16,17)13-3-1-2-10-6-9-4-5-15-8-11(9)7-12(10)13/h1-3,6-7,15H,4-5,8H2,(H2,14,16,17).
What are the key properties of 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide?
1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydrobenzo[g]isoquinoline-9-sulfonamide is sourced from PubChem (CID 175297331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).