N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide

C20H24N2O3S — CID 109062908

IUPACN-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-3-15(2)21-26(24,25)19-10-6-9-17(13-19)20(23)22-12-11-16-7-4-5-8-18(16)14-22/h4-10,13,15,21H,3,11-12,14H2,1-2H3
InChIKeyFSOXWEYWFBVPMM-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.96
Rot. Bonds5

About N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide

N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide (PubChem CID 109062908) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
PubChem CID109062908
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O3S/c1-3-15(2)21-26(24,25)19-10-6-9-17(13-19)20(23)22-12-11-16-7-4-5-8-18(16)14-22/h4-10,13,15,21H,3,11-12,14H2,1-2H3
InChIKeyFSOXWEYWFBVPMM-UHFFFAOYSA-N
XLogP2.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 38408399
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]-2-methylpropanamide
CID 889511
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
3-(butan-2-ylsulfamoyl)-N-butylbenzamide
CID 109062541
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-pentylbenzamide
CID 109055330
3-(butan-2-ylsulfamoyl)-N-tert-butylbenzamide
CID 109062923
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
CID 109102324
3,4-dichloro-N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]benzenesulfonamide
CID 3949751
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxopropan-2-yl]-4-ethylbenzenesulfonamide
CID 110347703
3,4-dihydro-1H-isoquinolin-2-yl-[3-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43920503
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-ethyl-4-methylbenzenesulfonamide
CID 17451861
2-(4-methylbenzoyl)-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110644519

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide?
The IUPAC name of N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide (CID 109062908) is N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide is CCC(C)NS(=O)(=O)c1cccc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide?
The InChIKey is FSOXWEYWFBVPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-15(2)21-26(24,25)19-10-6-9-17(13-19)20(23)22-12-11-16-7-4-5-8-18(16)14-22/h4-10,13,15,21H,3,11-12,14H2,1-2H3.
What are the key properties of N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide?
N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109062908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).