CID 134805747

C19H26F3N3O3S — CID 134805747

IUPAC—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCC3CCN(CCC(F)(F)F)CC3)ccc21
InChIInChI=1S/C19H26F3N3O3S/c1-29(26,27)11-10-25-18-3-2-17(12-16(18)13-23-25)28-14-15-4-7-24(8-5-15)9-6-19(20,21)22/h2-3,12-13,15H,4-11,14H2,1H3
InChIKeyMKVZINROCFIMIP-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.34
Rot. Bonds8

About CID 134805747

CID 134805747 (PubChem CID 134805747) has the molecular formula C19H26F3N3O3S and a molecular weight of 433.50 g/mol.

Molecular Properties

Compound NameCID 134805747
PubChem CID134805747
Molecular FormulaC19H26F3N3O3S
Molecular Weight433.50 g/mol
Exact Mass433.16
IUPAC Name—
SMILESC[S+](=O)([O-])CCn1ncc2cc(OCC3CCN(CCC(F)(F)F)CC3)ccc21
InChIInChI=1S/C19H26F3N3O3S/c1-29(26,27)11-10-25-18-3-2-17(12-16(18)13-23-25)28-14-15-4-7-24(8-5-15)9-6-19(20,21)22/h2-3,12-13,15H,4-11,14H2,1H3
InChIKeyMKVZINROCFIMIP-UHFFFAOYSA-N
XLogP3.34
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]cyclopropanesulfonamide
CID 24953162
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]-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
6-(1,3-dimethylindazol-5-yl)oxy-N-methyl-N-prop-2-enylhexan-1-amine
CID 44427946
CID 134805410
CID 134805410
CID 134807298
CID 134807298
CID 134808783
CID 134808783
3-[5-[[1-(4,4,4-Trifluorobutanoyl)piperidin-4-yl]methoxy]indazol-1-yl]propanoic acid
CID 134811234
CID 134807809
CID 134807809

Frequently Asked Questions

What is the IUPAC name of CID 134805747?
The IUPAC name of CID 134805747 (CID 134805747) is not available.
What is the SMILES notation for CID 134805747?
The canonical SMILES for CID 134805747 is C[S+](=O)([O-])CCn1ncc2cc(OCC3CCN(CCC(F)(F)F)CC3)ccc21.
What is the InChIKey of CID 134805747?
The InChIKey is MKVZINROCFIMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3S/c1-29(26,27)11-10-25-18-3-2-17(12-16(18)13-23-25)28-14-15-4-7-24(8-5-15)9-6-19(20,21)22/h2-3,12-13,15H,4-11,14H2,1H3.
What are the key properties of CID 134805747?
CID 134805747 has a molecular weight of 433.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134805747 is sourced from PubChem (CID 134805747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).