N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide

C19H21N3O3S — CID 71452391

IUPACN-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide
SMILESC=CCn1ncc2c(NS(=O)(=O)c3ccc(C)cc3)ccc(OCC)c21
InChIInChI=1S/C19H21N3O3S/c1-4-12-22-19-16(13-20-22)17(10-11-18(19)25-5-2)21-26(23,24)15-8-6-14(3)7-9-15/h4,6-11,13,21H,1,5,12H2,2-3H3
InChIKeyDHQOXMSJMXCOHW-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.73
Rot. Bonds7

About N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide

N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide (PubChem CID 71452391) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide
PubChem CID71452391
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide
SMILESC=CCn1ncc2c(NS(=O)(=O)c3ccc(C)cc3)ccc(OCC)c21
InChIInChI=1S/C19H21N3O3S/c1-4-12-22-19-16(13-20-22)17(10-11-18(19)25-5-2)21-26(23,24)15-8-6-14(3)7-9-15/h4,6-11,13,21H,1,5,12H2,2-3H3
InChIKeyDHQOXMSJMXCOHW-UHFFFAOYSA-N
XLogP3.73
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(4-methylsulfanylphenyl)propan-2-yl]cyclopropanesulfonamide
CID 24954947
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]propane-1-sulfonamide
CID 24953163
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]methanesulfonamide
CID 24953166
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2-methylpropane-1-sulfonamide
CID 59786564
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]propane-2-sulfonamide
CID 59786572
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]pentane-1-sulfonamide
CID 59786577
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]butane-2-sulfonamide
CID 59786587
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24997743
N-(7-ethoxy-2-methylindazol-4-yl)-4-methylbenzenesulfonamide
CID 71454170
2,3-dichloro-N-(5-methoxy-1-methylindazol-4-yl)benzenesulfonamide
CID 137642528
2-Cyclopropyl-7-methoxy-4-(3-phenoxyazetidin-1-yl)indazole
CID 175435834
N-(7-ethoxy-1H-indazol-4-yl)-4-methylbenzenesulfonamide
CID 53356004

Frequently Asked Questions

What is the IUPAC name of N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide (CID 71452391) is N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide is C=CCn1ncc2c(NS(=O)(=O)c3ccc(C)cc3)ccc(OCC)c21.
What is the InChIKey of N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide?
The InChIKey is DHQOXMSJMXCOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-4-12-22-19-16(13-20-22)17(10-11-18(19)25-5-2)21-26(23,24)15-8-6-14(3)7-9-15/h4,6-11,13,21H,1,5,12H2,2-3H3.
What are the key properties of N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide?
N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-ethoxy-1-prop-2-enylindazol-4-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 71452391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).