(S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol

C23H20FNO3S — CID 138975759

IUPAC(S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol
SMILESC=C1[C@@H]([C@H](O)c2cccc(F)c2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H20FNO3S/c1-15-10-12-19(13-11-15)29(27,28)25-16(2)22(20-8-3-4-9-21(20)25)23(26)17-6-5-7-18(24)14-17/h3-14,22-23,26H,2H2,1H3/t22-,23-/m1/s1
InChIKeyFSCZXKLRSSRAAN-DHIUTWEWSA-N
MW409.48 g/mol
LogP4.67
Rot. Bonds4

About (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol

(S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol (PubChem CID 138975759) has the molecular formula C23H20FNO3S and a molecular weight of 409.48 g/mol. Its IUPAC name is (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol.

Molecular Properties

Compound Name(S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol
PubChem CID138975759
Molecular FormulaC23H20FNO3S
Molecular Weight409.48 g/mol
Exact Mass409.11
IUPAC Name(S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol
SMILESC=C1[C@@H]([C@H](O)c2cccc(F)c2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H20FNO3S/c1-15-10-12-19(13-11-15)29(27,28)25-16(2)22(20-8-3-4-9-21(20)25)23(26)17-6-5-7-18(24)14-17/h3-14,22-23,26H,2H2,1H3/t22-,23-/m1/s1
InChIKeyFSCZXKLRSSRAAN-DHIUTWEWSA-N
XLogP4.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol?
The IUPAC name of (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol (CID 138975759) is (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol.
What is the SMILES notation for (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol?
The canonical SMILES for (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol is C=C1[C@@H]([C@H](O)c2cccc(F)c2)c2ccccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol?
The InChIKey is FSCZXKLRSSRAAN-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H20FNO3S/c1-15-10-12-19(13-11-15)29(27,28)25-16(2)22(20-8-3-4-9-21(20)25)23(26)17-6-5-7-18(24)14-17/h3-14,22-23,26H,2H2,1H3/t22-,23-/m1/s1.
What are the key properties of (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol?
(S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol has a molecular weight of 409.48 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3-fluorophenyl)-[(3S)-2-methylidene-1-(4-methylphenyl)sulfonyl-3H-indol-3-yl]methanol is sourced from PubChem (CID 138975759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).