1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

C18H21ClN2O2S — CID 110628137

IUPAC1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CCc2ccccc2C1c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2S/c1-2-12-20-24(22,23)21-13-11-14-7-3-4-8-15(14)18(21)16-9-5-6-10-17(16)19/h3-10,18,20H,2,11-13H2,1H3
InChIKeyFWRMQIJVDRPLNL-UHFFFAOYSA-N
MW364.90 g/mol
LogP3.53
Rot. Bonds5

About 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide

1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (PubChem CID 110628137) has the molecular formula C18H21ClN2O2S and a molecular weight of 364.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
PubChem CID110628137
Molecular FormulaC18H21ClN2O2S
Molecular Weight364.90 g/mol
Exact Mass364.10
IUPAC Name1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
SMILESCCCNS(=O)(=O)N1CCc2ccccc2C1c1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2S/c1-2-12-20-24(22,23)21-13-11-14-7-3-4-8-15(14)18(21)16-9-5-6-10-17(16)19/h3-10,18,20H,2,11-13H2,1H3
InChIKeyFWRMQIJVDRPLNL-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one
CID 92760228
(2R)-1-[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2-ethylhexan-1-one
CID 92760227
1-(4-methoxyphenyl)-N-methyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628144
(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044
10-chloro-4-oxo-N-propyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-sulfonamide
CID 110633110
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(4-methylphenyl)methanone
CID 92767919
1-(2-fluorophenyl)-N,N-dimethyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110288949
ethyl 4-[[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]benzoate
CID 92770835
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
2-ethylsulfonyl-1-(3-fluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 110661445
1-(aminomethyl)-N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 114804954
N-methyl-1-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 110628085

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide (CID 110628137) is 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is CCCNS(=O)(=O)N1CCc2ccccc2C1c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
The InChIKey is FWRMQIJVDRPLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2S/c1-2-12-20-24(22,23)21-13-11-14-7-3-4-8-15(14)18(21)16-9-5-6-10-17(16)19/h3-10,18,20H,2,11-13H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide?
1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide has a molecular weight of 364.90 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-propyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide is sourced from PubChem (CID 110628137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).