1-(4-chlorophenyl)sulfonyl-2H-indol-3-one

C14H10ClNO3S — CID 172633432

IUPAC1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H10ClNO3S/c15-10-5-7-11(8-6-10)20(18,19)16-9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKeyNNNCEXVVFJZKTE-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.73
Rot. Bonds2

About 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one

1-(4-chlorophenyl)sulfonyl-2H-indol-3-one (PubChem CID 172633432) has the molecular formula C14H10ClNO3S and a molecular weight of 307.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
PubChem CID172633432
Molecular FormulaC14H10ClNO3S
Molecular Weight307.76 g/mol
Exact Mass307.01
IUPAC Name1-(4-chlorophenyl)sulfonyl-2H-indol-3-one
SMILESO=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H10ClNO3S/c15-10-5-7-11(8-6-10)20(18,19)16-9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2
InChIKeyNNNCEXVVFJZKTE-UHFFFAOYSA-N
XLogP2.73
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-2H-indol-3-one
CID 102600373
1-naphthalen-2-ylsulfonyl-2H-indol-3-one
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5-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-6H-benzo[d][1]benzazepin-7-one
CID 86644585
1-(benzenesulfonyl)-5-methoxy-2H-indol-3-one
CID 595498
4-[[4-(4-chlorophenyl)sulfonyl-2,3-dihydroquinoxalin-1-yl]sulfonyl]benzonitrile
CID 56646494
1-(4-chlorophenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 67505503
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroquinolin-4-one
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2-(4-chlorophenyl)sulfonyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 3621349

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one (CID 172633432) is 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one is O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one?
The InChIKey is NNNCEXVVFJZKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO3S/c15-10-5-7-11(8-6-10)20(18,19)16-9-14(17)12-3-1-2-4-13(12)16/h1-8H,9H2.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one?
1-(4-chlorophenyl)sulfonyl-2H-indol-3-one has a molecular weight of 307.76 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2H-indol-3-one is sourced from PubChem (CID 172633432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).