[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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Related Compounds

1-[3-(3-chloro-4-fluorophenyl)sulfonyl-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl]-N-methylmethanamine;hydrochloride
CID 177315200
1-[3-(3-methoxyphenyl)sulfonyl-3-azatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,11,13-pentaen-5-yl]-N-methylmethanamine;hydrochloride
CID 177315055
N-[(3-pyridin-3-ylsulfonyl-3-azatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-5-yl)methyl]ethanamine
CID 177315116
1-[4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine
CID 178134547
[3-[3-(3-methoxypropoxy)phenyl]sulfonyl-3-azatricyclo[9.4.0.02,6]pentadeca-1(15),2(6),4,11,13-pentaen-5-yl]methyl N-methylcarbamate
CID 177370361
4-cyclopropyl-5-(2-fluorophenyl)-1-(3-fluorophenyl)sulfonylpyrrole-3-carbaldehyde
CID 178134450
[3-(2,4-difluorophenyl)-2-(3-fluorophenyl)sulfonyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-6-yl]-methylcarbamic acid
CID 121452042
1-[5-(2-chloro-3-pyridinyl)-4-fluoro-1-(3-fluorophenyl)sulfonylpyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 86624010
1-[5-(2,5-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 122656862
1-[5-(2,4-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 130454904
1-[5-(2,6-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 135353590
1-[1-(3-fluorophenyl)sulfonyl-[1]benzofuro[3,2-b]pyrrol-3-yl]-N-methylmethanamine
CID 177315081

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).