(4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone

C16H12BrNO3S — CID 139760348

IUPAC(4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(ccn2C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H12BrNO3S/c1-22(20,21)14-6-7-15-12(10-14)8-9-18(15)16(19)11-2-4-13(17)5-3-11/h2-10H,1H3
InChIKeyWUZXMSMIPDCNFX-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.50
Rot. Bonds2

About (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone

(4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone (PubChem CID 139760348) has the molecular formula C16H12BrNO3S and a molecular weight of 378.25 g/mol. Its IUPAC name is (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone.

Molecular Properties

Compound Name(4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone
PubChem CID139760348
Molecular FormulaC16H12BrNO3S
Molecular Weight378.25 g/mol
Exact Mass376.97
IUPAC Name(4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone
SMILESCS(=O)(=O)c1ccc2c(ccn2C(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H12BrNO3S/c1-22(20,21)14-6-7-15-12(10-14)8-9-18(15)16(19)11-2-4-13(17)5-3-11/h2-10H,1H3
InChIKeyWUZXMSMIPDCNFX-UHFFFAOYSA-N
XLogP3.50
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone?
The IUPAC name of (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone (CID 139760348) is (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone.
What is the SMILES notation for (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone?
The canonical SMILES for (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone is CS(=O)(=O)c1ccc2c(ccn2C(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone?
The InChIKey is WUZXMSMIPDCNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3S/c1-22(20,21)14-6-7-15-12(10-14)8-9-18(15)16(19)11-2-4-13(17)5-3-11/h2-10H,1H3.
What are the key properties of (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone?
(4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone has a molecular weight of 378.25 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(5-methylsulfonylindol-1-yl)methanone is sourced from PubChem (CID 139760348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).