N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide

C20H24BrN3O3S — CID 73053076

IUPACN-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(O)C(CC)(c1ccc(Br)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H24BrN3O3S/c1-4-19(25)20(5-2,14-9-11-15(21)12-10-14)24-18-8-6-7-17(16(18)13-22-24)23-28(3,26)27/h6-13,19,23,25H,4-5H2,1-3H3
InChIKeyXYDAWFCVJBISIE-UHFFFAOYSA-N
MW466.40 g/mol
LogP4.09
Rot. Bonds7

About N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide

N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide (PubChem CID 73053076) has the molecular formula C20H24BrN3O3S and a molecular weight of 466.40 g/mol. Its IUPAC name is N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide
PubChem CID73053076
Molecular FormulaC20H24BrN3O3S
Molecular Weight466.40 g/mol
Exact Mass465.07
IUPAC NameN-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(O)C(CC)(c1ccc(Br)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C20H24BrN3O3S/c1-4-19(25)20(5-2,14-9-11-15(21)12-10-14)24-18-8-6-7-17(16(18)13-22-24)23-28(3,26)27/h6-13,19,23,25H,4-5H2,1-3H3
InChIKeyXYDAWFCVJBISIE-UHFFFAOYSA-N
XLogP4.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide (CID 73053076) is N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide is CCC(O)C(CC)(c1ccc(Br)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is XYDAWFCVJBISIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O3S/c1-4-19(25)20(5-2,14-9-11-15(21)12-10-14)24-18-8-6-7-17(16(18)13-22-24)23-28(3,26)27/h6-13,19,23,25H,4-5H2,1-3H3.
What are the key properties of N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide?
N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 466.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(4-bromophenyl)-4-hydroxyhexan-3-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 73053076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).