1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol

C17H15NO3S — CID 21258568

IUPAC1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol
SMILESO=S(=O)(c1ccccc1)n1cc2c3c(cccc31)C(O)CC2
InChIInChI=1S/C17H15NO3S/c19-16-10-9-12-11-18(15-8-4-7-14(16)17(12)15)22(20,21)13-5-2-1-3-6-13/h1-8,11,16,19H,9-10H2
InChIKeyZKFKDBZVZPGXDS-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.86
Rot. Bonds2

About 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol

1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol (PubChem CID 21258568) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol
PubChem CID21258568
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol
SMILESO=S(=O)(c1ccccc1)n1cc2c3c(cccc31)C(O)CC2
InChIInChI=1S/C17H15NO3S/c19-16-10-9-12-11-18(15-8-4-7-14(16)17(12)15)22(20,21)13-5-2-1-3-6-13/h1-8,11,16,19H,9-10H2
InChIKeyZKFKDBZVZPGXDS-UHFFFAOYSA-N
XLogP2.86
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-4-amine
CID 71458811
methyl 2-[1-(4-methylphenyl)sulfonyl-4,5-dihydro-3H-benzo[cd]indol-5-yl]acetate
CID 15338578
3-(benzenesulfonyl)-9-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-7-ol
CID 25073118
3-(benzenesulfonyl)-11-methyl-3,11-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 25072813
3-(benzenesulfonyl)-11-(cyclopropylamino)-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 22567444
3-(benzenesulfonyl)-9-oxa-3-azatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-11-one;ethene
CID 22567442
4-(3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-3-ylsulfonyl)benzonitrile
CID 25069643
3-(3-chlorophenyl)sulfonyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 25073427
1-(benzenesulfonyl)-4-ethylindole-3-sulfonic acid
CID 87727667
2-(benzenesulfonyl)-6-(pyrrolidin-3-ylmethyl)-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene;2,2,2-trifluoroacetic acid
CID 66786673
(2S)-2-[(R)-[1-(benzenesulfonyl)indol-3-yl]-hydroxymethyl]cycloheptan-1-one
CID 102109922
1-(benzenesulfonyl)-4-iodoindole-3-carbaldehyde
CID 170556036

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol?
The IUPAC name of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol (CID 21258568) is 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol.
What is the SMILES notation for 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol?
The canonical SMILES for 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol is O=S(=O)(c1ccccc1)n1cc2c3c(cccc31)C(O)CC2.
What is the InChIKey of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol?
The InChIKey is ZKFKDBZVZPGXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-16-10-9-12-11-18(15-8-4-7-14(16)17(12)15)22(20,21)13-5-2-1-3-6-13/h1-8,11,16,19H,9-10H2.
What are the key properties of 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol?
1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol has a molecular weight of 313.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4,5-dihydro-3H-benzo[cd]indol-5-ol is sourced from PubChem (CID 21258568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).