N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide

C20H24ClN3O3S — CID 70562176

IUPACN-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(n1ncc2c(NS(C)(=O)=O)cccc21)C(C)(C)O
InChIInChI=1S/C20H24ClN3O3S/c1-5-20(19(2,3)25,14-9-11-15(21)12-10-14)24-18-8-6-7-17(16(18)13-22-24)23-28(4,26)27/h6-13,23,25H,5H2,1-4H3
InChIKeyXTYMFUDXUREQRD-UHFFFAOYSA-N
MW421.95 g/mol
LogP3.99
Rot. Bonds6

About N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 70562176) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID70562176
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(c1ccc(Cl)cc1)(n1ncc2c(NS(C)(=O)=O)cccc21)C(C)(C)O
InChIInChI=1S/C20H24ClN3O3S/c1-5-20(19(2,3)25,14-9-11-15(21)12-10-14)24-18-8-6-7-17(16(18)13-22-24)23-28(4,26)27/h6-13,23,25H,5H2,1-4H3
InChIKeyXTYMFUDXUREQRD-UHFFFAOYSA-N
XLogP3.99
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide (CID 70562176) is N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide is CCC(c1ccc(Cl)cc1)(n1ncc2c(NS(C)(=O)=O)cccc21)C(C)(C)O.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is XTYMFUDXUREQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-5-20(19(2,3)25,14-9-11-15(21)12-10-14)24-18-8-6-7-17(16(18)13-22-24)23-28(4,26)27/h6-13,23,25H,5H2,1-4H3.
What are the key properties of N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 70562176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).