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

C14H12ClNO3S — CID 13437713

IUPAC1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
SMILESO=C1c2ccn(S(=O)(=O)c3ccccc3)c2CCC1Cl
InChIInChI=1S/C14H12ClNO3S/c15-12-6-7-13-11(14(12)17)8-9-16(13)20(18,19)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2
InChIKeyKWOUMFKGULGRGR-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.46
Rot. Bonds2

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

1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one (PubChem CID 13437713) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
PubChem CID13437713
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC Name1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one
SMILESO=C1c2ccn(S(=O)(=O)c3ccccc3)c2CCC1Cl
InChIInChI=1S/C14H12ClNO3S/c15-12-6-7-13-11(14(12)17)8-9-16(13)20(18,19)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2
InChIKeyKWOUMFKGULGRGR-UHFFFAOYSA-N
XLogP2.46
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(benzenesulfonyl)-7,8-dihydrocyclopenta[e]indol-6-one
CID 142413272
2-[(Z)-[1-(benzenesulfonyl)-6,7-dihydro-5H-indol-4-ylidene]amino]guanidine
CID 22725397
1-(benzenesulfonyl)-7-(4-chlorophenyl)sulfinyl-6,7-dihydro-5H-indol-4-one
CID 10478014
(5aS,6S,9aS)-3-(benzenesulfonyl)-6-ethenyl-9a-methyl-5,5a,6,7,8,9-hexahydro-4H-benzo[e]indole
CID 102591755
1-(benzenesulfonyl)-3-chloropyrrole-2-carbaldehyde
CID 23510477
1-(benzenesulfonyl)-4,5,5a,8a-tetrahydrofuro[3,4-g]indole-6,8-dione
CID 15185319
1-(benzenesulfonyl)-4-chloroindole
CID 11716255
6-(benzenesulfonyl)furo[2,3-e]indol-3-one
CID 142413177
1-(benzenesulfonyl)-4-(chloromethyl)indole
CID 118141510
1-(benzenesulfonyl)-7-bromoindole
CID 46738223
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one (CID 13437713) is 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one is O=C1c2ccn(S(=O)(=O)c3ccccc3)c2CCC1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one?
The InChIKey is KWOUMFKGULGRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c15-12-6-7-13-11(14(12)17)8-9-16(13)20(18,19)10-4-2-1-3-5-10/h1-5,8-9,12H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one?
1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one has a molecular weight of 309.77 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-chloro-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 13437713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).