(4-bromo-1-methylsulfonylindol-6-yl)methanol

C10H10BrNO3S — CID 139561490

IUPAC(4-bromo-1-methylsulfonylindol-6-yl)methanol
SMILESCS(=O)(=O)n1ccc2c(Br)cc(CO)cc21
InChIInChI=1S/C10H10BrNO3S/c1-16(14,15)12-3-2-8-9(11)4-7(6-13)5-10(8)12/h2-5,13H,6H2,1H3
InChIKeyYVFQQZBTMYZLHI-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.70
Rot. Bonds2

About (4-bromo-1-methylsulfonylindol-6-yl)methanol

(4-bromo-1-methylsulfonylindol-6-yl)methanol (PubChem CID 139561490) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is (4-bromo-1-methylsulfonylindol-6-yl)methanol.

Molecular Properties

Compound Name(4-bromo-1-methylsulfonylindol-6-yl)methanol
PubChem CID139561490
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name(4-bromo-1-methylsulfonylindol-6-yl)methanol
SMILESCS(=O)(=O)n1ccc2c(Br)cc(CO)cc21
InChIInChI=1S/C10H10BrNO3S/c1-16(14,15)12-3-2-8-9(11)4-7(6-13)5-10(8)12/h2-5,13H,6H2,1H3
InChIKeyYVFQQZBTMYZLHI-UHFFFAOYSA-N
XLogP1.70
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2,6-dibromo-4-(hydroxymethyl)phenyl] benzenesulfonate
CID 126142703
4-chloro-6-methoxy-1-methylsulfonylindole
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(7-bromo-1-methylindol-5-yl)methanol
CID 139560764
3-bromo-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 81488124
[3,5-dibromo-4-(2-propan-2-ylsulfonylethoxy)phenyl]methanol
CID 107738877
6-bromo-1-methylsulfonylpyrrolo[3,2-b]pyridine
CID 118249224
4-bromo-6-(methoxymethyl)-1-methylindole
CID 163231324
[3,5-dibromo-4-(3-methylsulfonylcyclohexyl)oxyphenyl]methanol
CID 107738776
1-[2-bromo-4-(hydroxymethyl)phenyl]propan-2-one
CID 118830117
(3,5-dibromo-4-butoxyphenyl)methanol
CID 107738793
(3-amino-5-bromo-4-methoxyphenyl)methanol
CID 117100520
(1-methylsulfonylindol-4-yl) acetate
CID 101057929

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylsulfonylindol-6-yl)methanol?
The IUPAC name of (4-bromo-1-methylsulfonylindol-6-yl)methanol (CID 139561490) is (4-bromo-1-methylsulfonylindol-6-yl)methanol.
What is the SMILES notation for (4-bromo-1-methylsulfonylindol-6-yl)methanol?
The canonical SMILES for (4-bromo-1-methylsulfonylindol-6-yl)methanol is CS(=O)(=O)n1ccc2c(Br)cc(CO)cc21.
What is the InChIKey of (4-bromo-1-methylsulfonylindol-6-yl)methanol?
The InChIKey is YVFQQZBTMYZLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c1-16(14,15)12-3-2-8-9(11)4-7(6-13)5-10(8)12/h2-5,13H,6H2,1H3.
What are the key properties of (4-bromo-1-methylsulfonylindol-6-yl)methanol?
(4-bromo-1-methylsulfonylindol-6-yl)methanol has a molecular weight of 304.17 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylsulfonylindol-6-yl)methanol is sourced from PubChem (CID 139561490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).