[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone

C25H17NO3S — CID 56955530

IUPAC[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H17NO3S/c27-25(21-15-14-18-8-4-5-9-19(18)16-21)24-17-20-10-6-7-13-23(20)26(24)30(28,29)22-11-2-1-3-12-22/h1-17H
InChIKeyKFVUNXVYHPWLBE-UHFFFAOYSA-N
MW411.48 g/mol
LogP5.26
Rot. Bonds4

About [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone

[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone (PubChem CID 56955530) has the molecular formula C25H17NO3S and a molecular weight of 411.48 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
PubChem CID56955530
Molecular FormulaC25H17NO3S
Molecular Weight411.48 g/mol
Exact Mass411.09
IUPAC Name[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C25H17NO3S/c27-25(21-15-14-18-8-4-5-9-19(18)16-21)24-17-20-10-6-7-13-23(20)26(24)30(28,29)22-11-2-1-3-12-22/h1-17H
InChIKeyKFVUNXVYHPWLBE-UHFFFAOYSA-N
XLogP5.26
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)indole-2-carbonyl chloride
CID 2776221
bis[3,4-bis[1-(benzenesulfonyl)indol-2-yl]phenyl]methanone
CID 174625594
[1-(benzenesulfonyl)-6-chloroindol-2-yl]-(4-methylphenyl)methanone
CID 23003432
N-[2-[1-(benzenesulfonyl)indole-2-carbonyl]phenyl]benzamide
CID 11733543
1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one
CID 23254190
[1-(benzenesulfonyl)-5-methoxyindol-2-yl]-(1-benzofuran-5-yl)methanone
CID 121485521
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
[1-(4-chlorophenyl)sulfonylindol-2-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 135257019
CID 88588324
CID 88588324
[1-(benzenesulfonyl)indol-2-yl]-(3,5-dibromo-1,2,4-triazol-1-yl)methanone
CID 175588444
1-(benzenesulfonyl)-2-chloroindole
CID 14416100
dinaphthalen-2-ylmethanone
CID 10945915

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone (CID 56955530) is [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone?
The InChIKey is KFVUNXVYHPWLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17NO3S/c27-25(21-15-14-18-8-4-5-9-19(18)16-21)24-17-20-10-6-7-13-23(20)26(24)30(28,29)22-11-2-1-3-12-22/h1-17H.
What are the key properties of [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone?
[1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone has a molecular weight of 411.48 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-2-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 56955530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).