[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone

C22H17NO3S — CID 10452101

IUPAC[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H17NO3S/c1-16-19-14-8-9-15-20(19)23(27(25,26)18-12-6-3-7-13-18)21(16)22(24)17-10-4-2-5-11-17/h2-15H,1H3
InChIKeyPIHDDBQGTOHRRS-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.42
Rot. Bonds4

About [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone

[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone (PubChem CID 10452101) has the molecular formula C22H17NO3S and a molecular weight of 375.45 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
PubChem CID10452101
Molecular FormulaC22H17NO3S
Molecular Weight375.45 g/mol
Exact Mass375.09
IUPAC Name[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H17NO3S/c1-16-19-14-8-9-15-20(19)23(27(25,26)18-12-6-3-7-13-18)21(16)22(24)17-10-4-2-5-11-17/h2-15H,1H3
InChIKeyPIHDDBQGTOHRRS-UHFFFAOYSA-N
XLogP4.42
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone?
The IUPAC name of [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone (CID 10452101) is [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone is Cc1c(C(=O)c2ccccc2)n(S(=O)(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone?
The InChIKey is PIHDDBQGTOHRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3S/c1-16-19-14-8-9-15-20(19)23(27(25,26)18-12-6-3-7-13-18)21(16)22(24)17-10-4-2-5-11-17/h2-15H,1H3.
What are the key properties of [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone?
[1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone has a molecular weight of 375.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-methylindol-2-yl]-phenylmethanone is sourced from PubChem (CID 10452101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).