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

C15H19ClN2O4S — CID 16661250

IUPACN-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCc2ccc(Cl)cc2C1)C1CC1
InChIInChI=1S/C15H19ClN2O4S/c16-14-4-3-11-5-6-17(8-13(11)7-14)23(21,22)9-15(12-1-2-12)18(20)10-19/h3-4,7,10,12,15,20H,1-2,5-6,8-9H2
InChIKeyVIOORFHSPKRORY-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.65
Rot. Bonds6

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

N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide (PubChem CID 16661250) has the molecular formula C15H19ClN2O4S and a molecular weight of 358.85 g/mol. Its IUPAC name is N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
PubChem CID16661250
Molecular FormulaC15H19ClN2O4S
Molecular Weight358.85 g/mol
Exact Mass358.08
IUPAC NameN-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCc2ccc(Cl)cc2C1)C1CC1
InChIInChI=1S/C15H19ClN2O4S/c16-14-4-3-11-5-6-17(8-13(11)7-14)23(21,22)9-15(12-1-2-12)18(20)10-19/h3-4,7,10,12,15,20H,1-2,5-6,8-9H2
InChIKeyVIOORFHSPKRORY-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-hydroxy-N-[(1R)-1-[(2R)-oxolan-2-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]ethyl]formamide
CID 16660448
N-[2-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]cyclopropyl]ethyl]-N-hydroxyformamide
CID 87408782
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
N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]ethyl]-N-hydroxyformamide
CID 143448077
N-[3-ethyl-1-[(6-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]pentan-2-yl]-N-hydroxyformamide
CID 16660451
(NE)-N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethylidene]hydroxylamine
CID 172951141
tert-butyl 2-[2-[(6,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[formyl(hydroxy)amino]ethyl]pyrrolidine-1-carboxylate;N-hydroxy-N-[1-[(2R)-oxolan-2-yl]-2-[[6-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonyl]ethyl]formamide
CID 87409054
tert-butyl 2-[2-[(1,6-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[formyl(hydroxy)amino]ethyl]pyrrolidine-1-carboxylate
CID 142783619
N-[(2S)-1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4,4-dihydroxybutan-2-yl]-N-hydroxyformamide
CID 87408223
2-(chloromethylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-ol
CID 63665780
N-[4-(furan-2-yl)-1-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]but-3-en-2-yl]-N-hydroxyformamide
CID 76644382
N-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-4-phenylbutan-2-yl]-N-hydroxyformamide
CID 16659953

Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide (CID 16661250) is N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide is O=CN(O)C(CS(=O)(=O)N1CCc2ccc(Cl)cc2C1)C1CC1.
What is the InChIKey of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide?
The InChIKey is VIOORFHSPKRORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4S/c16-14-4-3-11-5-6-17(8-13(11)7-14)23(21,22)9-15(12-1-2-12)18(20)10-19/h3-4,7,10,12,15,20H,1-2,5-6,8-9H2.
What are the key properties of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide?
N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-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-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-cyclopropylethyl]-N-hydroxyformamide is sourced from PubChem (CID 16661250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).