methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate

C26H19ClN2O4S — CID 58812066

IUPACmethyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(S(=O)(=O)c1cccc3ccccc13)nn2Cc1cccc(Cl)c1
InChIInChI=1S/C26H19ClN2O4S/c1-33-26(30)19-12-13-23-22(15-19)25(28-29(23)16-17-6-4-9-20(27)14-17)34(31,32)24-11-5-8-18-7-2-3-10-21(18)24/h2-15H,16H2,1H3
InChIKeyRVYNDBYUNWEJTF-UHFFFAOYSA-N
MW490.97 g/mol
LogP5.51
Rot. Bonds5

About methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate

methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate (PubChem CID 58812066) has the molecular formula C26H19ClN2O4S and a molecular weight of 490.97 g/mol. Its IUPAC name is methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate
PubChem CID58812066
Molecular FormulaC26H19ClN2O4S
Molecular Weight490.97 g/mol
Exact Mass490.08
IUPAC Namemethyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(S(=O)(=O)c1cccc3ccccc13)nn2Cc1cccc(Cl)c1
InChIInChI=1S/C26H19ClN2O4S/c1-33-26(30)19-12-13-23-22(15-19)25(28-29(23)16-17-6-4-9-20(27)14-17)34(31,32)24-11-5-8-18-7-2-3-10-21(18)24/h2-15H,16H2,1H3
InChIKeyRVYNDBYUNWEJTF-UHFFFAOYSA-N
XLogP5.51
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.97
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonyl-5-piperazin-1-ylindazole
CID 58016741
3-(1-benzyl-3-naphthalen-1-ylsulfonylindazol-5-yl)oxypropan-1-amine
CID 68681547
1-[(3-chlorophenyl)methyl]-5-methoxy-3-naphthalen-1-ylsulfonyl-7-(2-pyrrolidin-1-ylethoxy)indazole
CID 142760766
4-[1-[(3-chlorophenyl)methyl]-5-fluoro-3-naphthalen-1-ylsulfonylindazol-7-yl]oxybutan-2-amine
CID 68680441
methyl 4-[[1-[(3-chlorophenyl)methyl]-6-fluoroindazol-3-yl]carbamoyl]benzoate
CID 66858047
methyl 4-[[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 19411591
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
2-[1-[(3-chlorophenyl)methyl]indazol-3-yl]oxyacetic acid
CID 23173494
methyl 1-[(3-chlorophenyl)methyl]-5-methyltriazole-4-carboxylate
CID 59583410
1-benzyl-7-(2-chloroethoxy)-5-fluoro-3-naphthalen-1-ylsulfonylindazole
CID 151331368
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 1-(2-methoxyphenyl)sulfonyl-2-naphthalen-1-ylbenzimidazole-5-carboxylate
CID 164941917

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate?
The IUPAC name of methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate (CID 58812066) is methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate.
What is the SMILES notation for methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate?
The canonical SMILES for methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate is COC(=O)c1ccc2c(c1)c(S(=O)(=O)c1cccc3ccccc13)nn2Cc1cccc(Cl)c1.
What is the InChIKey of methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate?
The InChIKey is RVYNDBYUNWEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN2O4S/c1-33-26(30)19-12-13-23-22(15-19)25(28-29(23)16-17-6-4-9-20(27)14-17)34(31,32)24-11-5-8-18-7-2-3-10-21(18)24/h2-15H,16H2,1H3.
What are the key properties of methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate?
methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate has a molecular weight of 490.97 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3-chlorophenyl)methyl]-3-naphthalen-1-ylsulfonylindazole-5-carboxylate is sourced from PubChem (CID 58812066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).