5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one

C19H20ClN3O3S — CID 20911633

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C19H20ClN3O3S/c1-21-18-6-5-17(11-14(18)12-19(21)24)27(25,26)23-9-7-22(8-10-23)16-4-2-3-15(20)13-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyXKDDEAZVMBIOSO-UHFFFAOYSA-N
MW405.91 g/mol
LogP2.37
Rot. Bonds3

About 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one

5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one (PubChem CID 20911633) has the molecular formula C19H20ClN3O3S and a molecular weight of 405.91 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
PubChem CID20911633
Molecular FormulaC19H20ClN3O3S
Molecular Weight405.91 g/mol
Exact Mass405.09
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
InChIInChI=1S/C19H20ClN3O3S/c1-21-18-6-5-17(11-14(18)12-19(21)24)27(25,26)23-9-7-22(8-10-23)16-4-2-3-15(20)13-16/h2-6,11,13H,7-10,12H2,1H3
InChIKeyXKDDEAZVMBIOSO-UHFFFAOYSA-N
XLogP2.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.91
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
1-Methyl-5-{[(phenylethyl)amino]sulfonyl}indolin-2-one
CID 3163725
2-(1,2-Dihydro-2-oxo-1-(phenylmethyl)-5-(1-piperidinylsulfonyl)-3H-indol-3-ylidene)propanedinitrile
CID 42618278
2-[1-[(3,4-Dichlorophenyl)methyl]-2-oxo-5-piperidin-1-ylsulfonylindol-3-ylidene]propanedinitrile
CID 42618280
2-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 164618208
6-{[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl}-3,4-dihydroquinolin-2(1H)-one
CID 3245003
1-[5-[4-(2,5-Dimethylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 20851693
1-[5-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 20851700
1-Acetyl-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydro-1H-indole-5-sulfonamide
CID 20853143
5-[(4-acetylpiperazin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one
CID 9535379
1-[4-[(6-chloro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]phenyl]pyrrolidin-2-one
CID 38893984
Indol-2-one, 1-methyl-5-(4-methylpiperazine-1-sulfonyl)-1,3-dihydro-
CID 1511401

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one (CID 20911633) is 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one?
The InChIKey is XKDDEAZVMBIOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3S/c1-21-18-6-5-17(11-14(18)12-19(21)24)27(25,26)23-9-7-22(8-10-23)16-4-2-3-15(20)13-16/h2-6,11,13H,7-10,12H2,1H3.
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one?
5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one has a molecular weight of 405.91 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one is sourced from PubChem (CID 20911633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).