[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol

C15H12BrNO3S — CID 174688128

IUPAC[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1)c1ccc2[nH]cc(CO)c2c1
InChIInChI=1S/C15H12BrNO3S/c16-11-1-3-12(4-2-11)21(19,20)13-5-6-15-14(7-13)10(9-18)8-17-15/h1-8,17-18H,9H2
InChIKeyQIFDJVPRMFVHAC-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.26
Rot. Bonds3

About [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol

[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol (PubChem CID 174688128) has the molecular formula C15H12BrNO3S and a molecular weight of 366.24 g/mol. Its IUPAC name is [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol.

Molecular Properties

Compound Name[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol
PubChem CID174688128
Molecular FormulaC15H12BrNO3S
Molecular Weight366.24 g/mol
Exact Mass364.97
IUPAC Name[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol
SMILESO=S(=O)(c1ccc(Br)cc1)c1ccc2[nH]cc(CO)c2c1
InChIInChI=1S/C15H12BrNO3S/c16-11-1-3-12(4-2-11)21(19,20)13-5-6-15-14(7-13)10(9-18)8-17-15/h1-8,17-18H,9H2
InChIKeyQIFDJVPRMFVHAC-UHFFFAOYSA-N
XLogP3.26
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[[3-[(dimethylamino)methyl]-1H-indol-5-yl]sulfonyl]-1H-indol-3-yl]-N,N-dimethylmethanamine
CID 12575718
2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethanamine
CID 11358502
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
tert-butyl N-[2-[5-(benzenesulfonyl)-1H-indol-3-yl]ethyl]carbamate
CID 10135626
2-[5-(pyrrolidin-1-ylmethylsulfonyl)-1H-indol-3-yl]ethanol
CID 23584716
3-(5-methylsulfonyl-1H-indol-3-yl)propanoic acid
CID 83984871
2-(5-bromo-1H-indol-3-yl)acetaldehyde
CID 20623493
N-[(5-bromo-1H-indol-3-yl)methyl]hydroxylamine
CID 82622001
ethyl 2-(5-ethylsulfonyl-1H-indol-3-yl)acetate
CID 83984817
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 164522928
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325

Frequently Asked Questions

What is the IUPAC name of [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol?
The IUPAC name of [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol (CID 174688128) is [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol.
What is the SMILES notation for [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol?
The canonical SMILES for [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol is O=S(=O)(c1ccc(Br)cc1)c1ccc2[nH]cc(CO)c2c1.
What is the InChIKey of [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol?
The InChIKey is QIFDJVPRMFVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3S/c16-11-1-3-12(4-2-11)21(19,20)13-5-6-15-14(7-13)10(9-18)8-17-15/h1-8,17-18H,9H2.
What are the key properties of [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol?
[5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol has a molecular weight of 366.24 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-bromophenyl)sulfonyl-1H-indol-3-yl]methanol is sourced from PubChem (CID 174688128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).