N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide

C15H19ClN2O4S — CID 87408782

IUPACN-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide
SMILESO=CN(O)CCC1CC1S(=O)(=O)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C15H19ClN2O4S/c16-14-2-1-11-4-6-18(9-13(11)7-14)23(21,22)15-8-12(15)3-5-17(20)10-19/h1-2,7,10,12,15,20H,3-6,8-9H2
InChIKeyVUQKEPIYRFANMX-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.65
Rot. Bonds6

About N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide

N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide (PubChem CID 87408782) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide
PubChem CID87408782
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC NameN-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide
SMILESO=CN(O)CCC1CC1S(=O)(=O)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C15H19ClN2O4S/c16-14-2-1-11-4-6-18(9-13(11)7-14)23(21,22)15-8-12(15)3-5-17(20)10-19/h1-2,7,10,12,15,20H,3-6,8-9H2
InChIKeyVUQKEPIYRFANMX-UHFFFAOYSA-N
XLogP1.65
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
CID 16661250
CID 88886383
CID 88886383
(NE)-N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethylidene]hydroxylamine
CID 172951141
2-(chloromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 63665780
1-(4-chlorophenyl)-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
CID 16926141
7-chloro-2-[(E)-4-phenoxybut-1-enyl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 163427950
1-(4-chlorophenyl)-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)methanesulfonamide
CID 16926614
N-[(1S)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine;N-[(1R)-2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
CID 160986441
7-chloro-2-nitroso-3,4-dihydro-1H-isoquinoline
CID 138504153
N-[2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-(4-fluorophenyl)methanesulfonamide
CID 16926314
3-chloro-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926060
2,5-dichloro-N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]benzamide
CID 16930158

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide (CID 87408782) is N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide is O=CN(O)CCC1CC1S(=O)(=O)N1CCc2ccc(Cl)cc2C1.
What is the InChIKey of N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide?
The InChIKey is VUQKEPIYRFANMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c16-14-2-1-11-4-6-18(9-13(11)7-14)23(21,22)15-8-12(15)3-5-17(20)10-19/h1-2,7,10,12,15,20H,3-6,8-9H2.
What are the key properties of N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide?
N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide has a molecular weight of 358.85 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide is sourced from PubChem (CID 87408782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).