(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate

C9H10BrNO3S — CID 14522156

IUPAC(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C9H10BrNO3S/c1-15(12,13)14-7-4-6-2-3-11-9(6)8(10)5-7/h4-5,11H,2-3H2,1H3
InChIKeyAHZIIEDLHVSVMQ-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.76
Rot. Bonds2

About (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate

(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate (PubChem CID 14522156) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate.

Molecular Properties

Compound Name(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate
PubChem CID14522156
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Name(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C9H10BrNO3S/c1-15(12,13)14-7-4-6-2-3-11-9(6)8(10)5-7/h4-5,11H,2-3H2,1H3
InChIKeyAHZIIEDLHVSVMQ-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-6-methoxy-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 121231740
7-bromo-5-methyl-2,3-dihydro-1H-indole
CID 16789330
1-(7-bromo-2,3-dihydro-1H-indol-5-yl)ethanone
CID 84701796
5-bromo-2,3-dihydro-1H-indol-7-ol;5-bromo-7-methoxy-2,3-dihydro-1H-indole;tribromoborane
CID 161446088
2,3-dihydro-1H-isoindol-5-yl methanesulfonate
CID 18630962
5-bromo-2,3-dihydro-1H-indole-7-carbaldehyde
CID 82391549
methyl 3-(8-bromo-1,2,3,4-tetrahydroquinolin-6-yl)propanoate
CID 99991424
8-bromo-N-methoxy-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 155102640
1-(5-fluoro-2,3-dihydro-1H-indol-7-yl)ethanone
CID 84656845
2,5-bis(methylsulfonyloxy)benzenesulfonic acid;piperazine
CID 3042390
(5-bromo-2,3-dihydro-1H-indol-7-yl)methyl formate
CID 174607633
7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole
CID 87591795

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate?
The IUPAC name of (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate (CID 14522156) is (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate.
What is the SMILES notation for (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate?
The canonical SMILES for (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate is CS(=O)(=O)Oc1cc(Br)c2c(c1)CCN2.
What is the InChIKey of (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate?
The InChIKey is AHZIIEDLHVSVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-15(12,13)14-7-4-6-2-3-11-9(6)8(10)5-7/h4-5,11H,2-3H2,1H3.
What are the key properties of (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate?
(7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate has a molecular weight of 292.15 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,3-dihydro-1H-indol-5-yl) methanesulfonate is sourced from PubChem (CID 14522156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).