1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one

C20H16ClNO4S2 — CID 10478014

IUPAC1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCC(S(=O)c2ccc(Cl)cc2)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16ClNO4S2/c21-14-6-8-15(9-7-14)27(24)19-11-10-18(23)17-12-13-22(20(17)19)28(25,26)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11H2
InChIKeyAQRLBEFLCZGFHX-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.20
Rot. Bonds4

About 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one

1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one (PubChem CID 10478014) has the molecular formula C20H16ClNO4S2 and a molecular weight of 433.94 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one
PubChem CID10478014
Molecular FormulaC20H16ClNO4S2
Molecular Weight433.94 g/mol
Exact Mass433.02
IUPAC Name1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one
SMILESO=C1CCC(S(=O)c2ccc(Cl)cc2)c2c1ccn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H16ClNO4S2/c21-14-6-8-15(9-7-14)27(24)19-11-10-18(23)17-12-13-22(20(17)19)28(25,26)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11H2
InChIKeyAQRLBEFLCZGFHX-UHFFFAOYSA-N
XLogP4.20
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
CID 13437713
1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydroindole
CID 10410409
1-(benzenesulfonyl)-4,5,5a,8a-tetrahydrofuro[3,4-g]indole-6,8-dione
CID 15185319
3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one
CID 142413272
1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfanyl-4-ethyl-6,7-dihydro-5H-indol-4-ol
CID 10456297
1-(4-chlorophenyl)sulfonylindole
CID 4689237
3-(benzenesulfonyl)-8-(4-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octane
CID 90591648
1-(benzenesulfonyl)-3-(4-chlorophenyl)sulfonylazetidine
CID 90595145
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
CID 172633432
1-(benzenesulfonyl)-3-chloropyrrole-2-carbaldehyde
CID 23510477
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
(3Z,5E)-1-(benzenesulfonyl)-3,5-bis[(4-chlorophenyl)methylidene]piperidin-4-one
CID 118107910

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one (CID 10478014) is 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one is O=C1CCC(S(=O)c2ccc(Cl)cc2)c2c1ccn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is AQRLBEFLCZGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO4S2/c21-14-6-8-15(9-7-14)27(24)19-11-10-18(23)17-12-13-22(20(17)19)28(25,26)16-4-2-1-3-5-16/h1-9,12-13,19H,10-11H2.
What are the key properties of 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one?
1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 433.94 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 10478014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).