[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol

C15H12BrNO3S — CID 66852224

IUPAC[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1cc(CO)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrNO3S/c16-12-6-7-15-14(8-12)11(10-18)9-17(15)21(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKeyQQFSGCSHFTVFJN-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.13
Rot. Bonds3

About [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol

[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol (PubChem CID 66852224) has the molecular formula C15H12BrNO3S and a molecular weight of 366.24 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
PubChem CID66852224
Molecular FormulaC15H12BrNO3S
Molecular Weight366.24 g/mol
Exact Mass364.97
IUPAC Name[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol
SMILESO=S(=O)(c1ccccc1)n1cc(CO)c2cc(Br)ccc21
InChIInChI=1S/C15H12BrNO3S/c16-12-6-7-15-14(8-12)11(10-18)9-17(15)21(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2
InChIKeyQQFSGCSHFTVFJN-UHFFFAOYSA-N
XLogP3.13
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol?
The IUPAC name of [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol (CID 66852224) is [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol.
What is the SMILES notation for [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol?
The canonical SMILES for [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol is O=S(=O)(c1ccccc1)n1cc(CO)c2cc(Br)ccc21.
What is the InChIKey of [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol?
The InChIKey is QQFSGCSHFTVFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3S/c16-12-6-7-15-14(8-12)11(10-18)9-17(15)21(19,20)13-4-2-1-3-5-13/h1-9,18H,10H2.
What are the key properties of [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol?
[1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol has a molecular weight of 366.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-5-bromoindol-3-yl]methanol is sourced from PubChem (CID 66852224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).