N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide

C19H22ClN3O3S — CID 70561348

IUPACN-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(COC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O3S/c1-4-19(13-26-2,14-8-10-15(20)11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-27(3,24)25/h5-12,22H,4,13H2,1-3H3
InChIKeyTXVIVDVBMUXPSA-UHFFFAOYSA-N
MW407.92 g/mol
LogP3.86
Rot. Bonds7

About N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide

N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide (PubChem CID 70561348) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide
PubChem CID70561348
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC NameN-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide
SMILESCCC(COC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21
InChIInChI=1S/C19H22ClN3O3S/c1-4-19(13-26-2,14-8-10-15(20)11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-27(3,24)25/h5-12,22H,4,13H2,1-3H3
InChIKeyTXVIVDVBMUXPSA-UHFFFAOYSA-N
XLogP3.86
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide (CID 70561348) is N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide is CCC(COC)(c1ccc(Cl)cc1)n1ncc2c(NS(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide?
The InChIKey is TXVIVDVBMUXPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-4-19(13-26-2,14-8-10-15(20)11-9-14)23-18-7-5-6-17(16(18)12-21-23)22-27(3,24)25/h5-12,22H,4,13H2,1-3H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide?
N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide has a molecular weight of 407.92 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide is sourced from PubChem (CID 70561348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).