methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate

C19H17N3O4S — CID 46594227

IUPACmethyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NS(=O)(=O)C3=Cc4ccccc4CC3)cc12
InChIInChI=1S/C19H17N3O4S/c1-26-19(23)18-16-11-14(7-9-17(16)20-21-18)22-27(24,25)15-8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9-11,22H,6,8H2,1H3,(H,20,21)
InChIKeyZNUOSUWWTRQCMV-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.08
Rot. Bonds4

About methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate

methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate (PubChem CID 46594227) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
PubChem CID46594227
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC Namemethyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate
SMILESCOC(=O)c1n[nH]c2ccc(NS(=O)(=O)C3=Cc4ccccc4CC3)cc12
InChIInChI=1S/C19H17N3O4S/c1-26-19(23)18-16-11-14(7-9-17(16)20-21-18)22-27(24,25)15-8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9-11,22H,6,8H2,1H3,(H,20,21)
InChIKeyZNUOSUWWTRQCMV-UHFFFAOYSA-N
XLogP3.08
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3,4-dihydronaphthalen-2-ylsulfonylamino)thiophene-2-carboxylate
CID 17465245
methyl 5-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-1H-indazole-3-carboxylate
CID 55567750
methyl 5-(1,2,2-tricyanoethenylamino)-1H-indazole-3-carboxylate
CID 168609857
methyl 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carboxylate;dihydrochloride
CID 23134641
methyl 6-(3,4-dihydronaphthalen-2-ylsulfonylamino)hexanoate
CID 39912433
methyl 5-[(2-prop-2-enylsulfanylacetyl)amino]-1H-indazole-3-carboxylate
CID 51089012
N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
N-[3-(benzenesulfonamido)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78878510
methyl 5-[4-[3-amino-2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]phenyl]-1H-indazole-3-carboxylate
CID 174492939
methyl 5-[[1-(2,6-dichlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]amino]-1H-indazole-3-carboxylate
CID 86887480
N-[3-[(E)-but-2-en-2-yl]-1H-indazol-5-yl]benzamide
CID 142208930
2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
CID 22567097

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate?
The IUPAC name of methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate (CID 46594227) is methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate?
The canonical SMILES for methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate is COC(=O)c1n[nH]c2ccc(NS(=O)(=O)C3=Cc4ccccc4CC3)cc12.
What is the InChIKey of methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate?
The InChIKey is ZNUOSUWWTRQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-26-19(23)18-16-11-14(7-9-17(16)20-21-18)22-27(24,25)15-8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9-11,22H,6,8H2,1H3,(H,20,21).
What are the key properties of methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate?
methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dihydronaphthalen-2-ylsulfonylamino)-1H-indazole-3-carboxylate is sourced from PubChem (CID 46594227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).