6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole

C15H13BrN2O2S — CID 174792264

IUPAC6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
SMILESCc1cn(S(=O)(=O)c2cccnc2)c2cc(CBr)ccc12
InChIInChI=1S/C15H13BrN2O2S/c1-11-10-18(15-7-12(8-16)4-5-14(11)15)21(19,20)13-3-2-6-17-9-13/h2-7,9-10H,8H2,1H3
InChIKeyAUJKGCCINZAYOC-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.48
Rot. Bonds3

About 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole

6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole (PubChem CID 174792264) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole.

Molecular Properties

Compound Name6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
PubChem CID174792264
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
SMILESCc1cn(S(=O)(=O)c2cccnc2)c2cc(CBr)ccc12
InChIInChI=1S/C15H13BrN2O2S/c1-11-10-18(15-7-12(8-16)4-5-14(11)15)21(19,20)13-3-2-6-17-9-13/h2-7,9-10H,8H2,1H3
InChIKeyAUJKGCCINZAYOC-UHFFFAOYSA-N
XLogP3.48
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-(bromomethyl)-1-pyridin-3-ylsulfonylindol-3-yl]ethyl carbamate
CID 175317176
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
CID 134346738
3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
CID 142724812
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-pyridin-3-ylsulfonylindole
CID 141441934
4-(3-propyl-1-pyridin-3-ylsulfonylindol-6-yl)aniline
CID 161364995
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
CID 174792289
3-formyl-1-pyridin-3-ylsulfonylindole-6-carboxylic acid
CID 134346877
2-fluoro-N,3-dimethyl-N-[(1-pyridin-3-ylsulfonylindol-3-yl)methyl]aniline
CID 141441903
(5-bromo-1-pyridin-3-ylsulfonylpyrrol-3-yl)methyl-(2,2-dimethylpropyl)carbamic acid
CID 66924992
6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
CID 134346754
1-(benzenesulfonyl)-6-(4-fluorophenyl)-3-pyridin-3-ylindole
CID 67843534

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole?
The IUPAC name of 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole (CID 174792264) is 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole.
What is the SMILES notation for 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole?
The canonical SMILES for 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole is Cc1cn(S(=O)(=O)c2cccnc2)c2cc(CBr)ccc12.
What is the InChIKey of 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole?
The InChIKey is AUJKGCCINZAYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-11-10-18(15-7-12(8-16)4-5-14(11)15)21(19,20)13-3-2-6-17-9-13/h2-7,9-10H,8H2,1H3.
What are the key properties of 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole?
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole has a molecular weight of 365.25 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole is sourced from PubChem (CID 174792264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).