N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide

C17H20N2O3S — CID 124639032

IUPACN'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-22-14-10-11-16-13(12-14)6-5-9-17(16)18-19-23(20,21)15-7-3-2-4-8-15/h2-4,7-8,10-12,17-19H,5-6,9H2,1H3/t17-/m0/s1
InChIKeyPVDPYRAVAUXIMC-KRWDZBQOSA-N
MW332.43 g/mol
LogP2.56
Rot. Bonds5

About N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide

N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide (PubChem CID 124639032) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide.

Molecular Properties

Compound NameN'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide
PubChem CID124639032
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide
SMILESCOc1ccc2c(c1)CCC[C@@H]2NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H20N2O3S/c1-22-14-10-11-16-13(12-14)6-5-9-17(16)18-19-23(20,21)15-7-3-2-4-8-15/h2-4,7-8,10-12,17-19H,5-6,9H2,1H3/t17-/m0/s1
InChIKeyPVDPYRAVAUXIMC-KRWDZBQOSA-N
XLogP2.56
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 78319340
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892483
(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 125072549
1-(3-methoxyphenyl)-3-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028111
1-(2-methoxyphenyl)-3-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 29028114
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
N-(dicyclopropylmethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43096402
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 43892716
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,2-dimethylpropanamide
CID 98004897
2,2,2-trichloroethyl N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamate
CID 24761683
4-methoxy-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-2,3-dimethylbenzenesulfonamide
CID 100753581

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide?
The IUPAC name of N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide (CID 124639032) is N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide.
What is the SMILES notation for N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide?
The canonical SMILES for N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide is COc1ccc2c(c1)CCC[C@@H]2NNS(=O)(=O)c1ccccc1.
What is the InChIKey of N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide?
The InChIKey is PVDPYRAVAUXIMC-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-22-14-10-11-16-13(12-14)6-5-9-17(16)18-19-23(20,21)15-7-3-2-4-8-15/h2-4,7-8,10-12,17-19H,5-6,9H2,1H3/t17-/m0/s1.
What are the key properties of N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide?
N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide has a molecular weight of 332.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonohydrazide is sourced from PubChem (CID 124639032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).