N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine

C15H21ClN2O4S — CID 143448074

IUPACN-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
SMILESO=S(=O)(CC(NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C15H21ClN2O4S/c16-13-4-3-11-5-6-18(9-12(11)8-13)23(20,21)10-14(17-19)15-2-1-7-22-15/h3-4,8,14-15,17,19H,1-2,5-7,9-10H2/t14?,15-/m1/s1
InChIKeyLJHGPVYBZKQWCO-YSSOQSIOSA-N
MW360.86 g/mol
LogP1.55
Rot. Bonds5

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

N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine (PubChem CID 143448074) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine.

Molecular Properties

Compound NameN-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
PubChem CID143448074
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC NameN-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine
SMILESO=S(=O)(CC(NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1
InChIInChI=1S/C15H21ClN2O4S/c16-13-4-3-11-5-6-18(9-12(11)8-13)23(20,21)10-14(17-19)15-2-1-7-22-15/h3-4,8,14-15,17,19H,1-2,5-7,9-10H2/t14?,15-/m1/s1
InChIKeyLJHGPVYBZKQWCO-YSSOQSIOSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
The IUPAC name of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine (CID 143448074) is N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine.
What is the SMILES notation for N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
The canonical SMILES for N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine is O=S(=O)(CC(NO)[C@H]1CCCO1)N1CCc2ccc(Cl)cc2C1.
What is the InChIKey of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
The InChIKey is LJHGPVYBZKQWCO-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c16-13-4-3-11-5-6-18(9-12(11)8-13)23(20,21)10-14(17-19)15-2-1-7-22-15/h3-4,8,14-15,17,19H,1-2,5-7,9-10H2/t14?,15-/m1/s1.
What are the key properties of N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine?
N-[2-[(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1-[(2R)-oxolan-2-yl]ethyl]hydroxylamine has a molecular weight of 360.86 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-[(2R)-oxolan-2-yl]ethyl]hydroxylamine is sourced from PubChem (CID 143448074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).