[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol

C19H16FNO3S — CID 177315196

IUPAC[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)n1cc(CO)c2c1-c1ccccc1CC2
InChIInChI=1S/C19H16FNO3S/c20-15-5-3-6-16(10-15)25(23,24)21-11-14(12-22)18-9-8-13-4-1-2-7-17(13)19(18)21/h1-7,10-11,22H,8-9,12H2
InChIKeyKYIPDHFOGLTUAK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds3

About [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol

[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol (PubChem CID 177315196) has the molecular formula C19H16FNO3S and a molecular weight of 357.41 g/mol. Its IUPAC name is [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol
PubChem CID177315196
Molecular FormulaC19H16FNO3S
Molecular Weight357.41 g/mol
Exact Mass357.08
IUPAC Name[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol
SMILESO=S(=O)(c1cccc(F)c1)n1cc(CO)c2c1-c1ccccc1CC2
InChIInChI=1S/C19H16FNO3S/c20-15-5-3-6-16(10-15)25(23,24)21-11-14(12-22)18-9-8-13-4-1-2-7-17(13)19(18)21/h1-7,10-11,22H,8-9,12H2
InChIKeyKYIPDHFOGLTUAK-UHFFFAOYSA-N
XLogP3.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol (CID 177315196) is [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol is O=S(=O)(c1cccc(F)c1)n1cc(CO)c2c1-c1ccccc1CC2.
What is the InChIKey of [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol?
The InChIKey is KYIPDHFOGLTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3S/c20-15-5-3-6-16(10-15)25(23,24)21-11-14(12-22)18-9-8-13-4-1-2-7-17(13)19(18)21/h1-7,10-11,22H,8-9,12H2.
What are the key properties of [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol?
[1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol has a molecular weight of 357.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)sulfonyl-4,5-dihydrobenzo[g]indol-3-yl]methanol is sourced from PubChem (CID 177315196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).