N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide

C11H12BrNO2S — CID 67066381

IUPACN-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1=CCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2S/c1-16(14,15)13-7-9-3-2-8-6-10(12)4-5-11(8)9/h3-6,13H,2,7H2,1H3
InChIKeyIEXCJCSDIMFBAX-UHFFFAOYSA-N
MW302.19 g/mol
LogP1.94
Rot. Bonds3

About N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide

N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide (PubChem CID 67066381) has the molecular formula C11H12BrNO2S and a molecular weight of 302.19 g/mol. Its IUPAC name is N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide
PubChem CID67066381
Molecular FormulaC11H12BrNO2S
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC NameN-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCC1=CCc2cc(Br)ccc21
InChIInChI=1S/C11H12BrNO2S/c1-16(14,15)13-7-9-3-2-8-6-10(12)4-5-11(8)9/h3-6,13H,2,7H2,1H3
InChIKeyIEXCJCSDIMFBAX-UHFFFAOYSA-N
XLogP1.94
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide?
The IUPAC name of N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide (CID 67066381) is N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide?
The canonical SMILES for N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide is CS(=O)(=O)NCC1=CCc2cc(Br)ccc21.
What is the InChIKey of N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide?
The InChIKey is IEXCJCSDIMFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2S/c1-16(14,15)13-7-9-3-2-8-6-10(12)4-5-11(8)9/h3-6,13H,2,7H2,1H3.
What are the key properties of N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide?
N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide has a molecular weight of 302.19 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3H-inden-1-yl)methyl]methanesulfonamide is sourced from PubChem (CID 67066381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).