[(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate

C17H16ClN3O4S — CID 174803652

IUPAC[(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate
SMILESCC(=O)OC(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C17H16ClN3O4S/c1-11(22)25-17(12-6-8-13(18)9-7-12)21-16-5-3-4-15(14(16)10-19-21)20-26(2,23)24/h3-10,17,20H,1-2H3
InChIKeyKCQKAQZCMSRIMO-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.17
Rot. Bonds5

About [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate

[(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate (PubChem CID 174803652) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate.

Molecular Properties

Compound Name[(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate
PubChem CID174803652
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name[(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate
SMILESCC(=O)OC(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C17H16ClN3O4S/c1-11(22)25-17(12-6-8-13(18)9-7-12)21-16-5-3-4-15(14(16)10-19-21)20-26(2,23)24/h3-10,17,20H,1-2H3
InChIKeyKCQKAQZCMSRIMO-UHFFFAOYSA-N
XLogP3.17
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate?
The IUPAC name of [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate (CID 174803652) is [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate.
What is the SMILES notation for [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate?
The canonical SMILES for [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate is CC(=O)OC(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate?
The InChIKey is KCQKAQZCMSRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-11(22)25-17(12-6-8-13(18)9-7-12)21-16-5-3-4-15(14(16)10-19-21)20-26(2,23)24/h3-10,17,20H,1-2H3.
What are the key properties of [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate?
[(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate has a molecular weight of 393.85 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-chlorophenyl)-[4-(methanesulfonamido)indazol-1-yl]methyl] acetate is sourced from PubChem (CID 174803652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).