2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

C16H22N2O3S — CID 110294055

IUPAC2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)15-7-6-12-8-9-18(11-14(12)10-15)16(19)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H2,17,20,21)
InChIKeyJUWFKHATKRTCGO-UHFFFAOYSA-N
MW322.43 g/mol
LogP1.80
Rot. Bonds2

About 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide

2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (PubChem CID 110294055) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
PubChem CID110294055
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCCC1)CC2
InChIInChI=1S/C16H22N2O3S/c17-22(20,21)15-7-6-12-8-9-18(11-14(12)10-15)16(19)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H2,17,20,21)
InChIKeyJUWFKHATKRTCGO-UHFFFAOYSA-N
XLogP1.80
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(7-piperidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110644472
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
2-(cyclopropanecarbonyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644359
3-(pyrrolidine-1-carbonyl)-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide
CID 21434436
N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16944208
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 69041392
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
2-(4-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294064
N-butan-2-yl-7-sulfamoyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 110632531
2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294078
2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294059

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The IUPAC name of 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide (CID 110294055) is 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide.
What is the SMILES notation for 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The canonical SMILES for 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CN(C(=O)C1CCCCC1)CC2.
What is the InChIKey of 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
The InChIKey is JUWFKHATKRTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c17-22(20,21)15-7-6-12-8-9-18(11-14(12)10-15)16(19)13-4-2-1-3-5-13/h6-7,10,13H,1-5,8-9,11H2,(H2,17,20,21).
What are the key properties of 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide?
2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide has a molecular weight of 322.43 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide is sourced from PubChem (CID 110294055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).