N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine

C16H20N2O4S — CID 158606883

IUPACN-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine
SMILESCc1ccc(S(=O)(=O)NC2(O)CCc3ccccc32)cc1.NO
InChIInChI=1S/C16H17NO3S.H3NO/c1-12-6-8-14(9-7-12)21(19,20)17-16(18)11-10-13-4-2-3-5-15(13)16;1-2/h2-9,17-18H,10-11H2,1H3;2H,1H2
InChIKeyHWIJLSDYBKRDDJ-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.40
Rot. Bonds3

About N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine

N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine (PubChem CID 158606883) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine.

Molecular Properties

Compound NameN-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine
PubChem CID158606883
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine
SMILESCc1ccc(S(=O)(=O)NC2(O)CCc3ccccc32)cc1.NO
InChIInChI=1S/C16H17NO3S.H3NO/c1-12-6-8-14(9-7-12)21(19,20)17-16(18)11-10-13-4-2-3-5-15(13)16;1-2/h2-9,17-18H,10-11H2,1H3;2H,1H2
InChIKeyHWIJLSDYBKRDDJ-UHFFFAOYSA-N
XLogP1.40
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(hydroxymethyl)-2,3-dihydroinden-1-yl]-4-methylbenzenesulfonamide
CID 97326025
N-(1-hydroxy-2,3-dihydroinden-1-yl)-N,4-dimethylbenzenesulfonamide
CID 19357623
N-[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]-N,4-dimethylbenzenesulfonamide
CID 70267678
N-[(1S,10aS)-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthren-1-yl]-4-methylbenzenesulfonamide
CID 138969893
4-methylbenzenesulfonohydrazide
CID 15303
N-[[(1R)-1-hydroxy-2,3-dihydroinden-1-yl]methyl]benzenesulfonamide
CID 95983148
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-4-propylbenzenesulfonamide
CID 90499106
methyl 4-[[(1S)-1-hydroxy-2,3-dihydroinden-1-yl]methylsulfamoyl]benzoate
CID 95986142
benzyl 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2,3-dihydroindene-1-carboxylate
CID 91578498
N-[[(1R)-4,4-dimethyl-1-phenyl-2,3-dihydronaphthalen-1-yl]methyl]-4-methylbenzenesulfonamide
CID 139200596
methyl 4-[(4-methylphenyl)sulfonylhydrazinylidene]-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 4597154
N-[(4,4-dimethylcyclohexylidene)amino]-4-methylbenzenesulfonamide
CID 59365939

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine?
The IUPAC name of N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine (CID 158606883) is N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine.
What is the SMILES notation for N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine?
The canonical SMILES for N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine is Cc1ccc(S(=O)(=O)NC2(O)CCc3ccccc32)cc1.NO.
What is the InChIKey of N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine?
The InChIKey is HWIJLSDYBKRDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S.H3NO/c1-12-6-8-14(9-7-12)21(19,20)17-16(18)11-10-13-4-2-3-5-15(13)16;1-2/h2-9,17-18H,10-11H2,1H3;2H,1H2.
What are the key properties of N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine?
N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine has a molecular weight of 336.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,3-dihydroinden-1-yl)-4-methylbenzenesulfonamide;hydroxylamine is sourced from PubChem (CID 158606883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).