1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one

C18H20N4O3S — CID 113098307

IUPAC1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C18H20N4O3S/c1-20-16-6-5-15(12-14(16)13-18(20)23)26(24,25)22-10-8-21(9-11-22)17-4-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3
InChIKeyKCTLVVQRXSLDFU-UHFFFAOYSA-N
MW372.45 g/mol
LogP1.11
Rot. Bonds3

About 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one

1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one (PubChem CID 113098307) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
PubChem CID113098307
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
InChIInChI=1S/C18H20N4O3S/c1-20-16-6-5-15(12-14(16)13-18(20)23)26(24,25)22-10-8-21(9-11-22)17-4-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3
InChIKeyKCTLVVQRXSLDFU-UHFFFAOYSA-N
XLogP1.11
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(benzenesulfonyl)piperazin-1-yl]-1-methyl-3H-indol-2-one
CID 110640995
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
5-[4-(4-ethylphenyl)piperazin-1-yl]sulfonyl-1-methyl-3H-indol-2-one
CID 113075964
1-[5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3238399
1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
CID 110721628
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
methyl 4-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperazine-1-carboxylate
CID 110818534
5-(3-hydroxypyrrolidin-1-yl)sulfonyl-1-methyl-3H-indol-2-one
CID 62916095
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
1-methyl-5-[4-(2-methylphenyl)sulfonylpiperazin-1-yl]-3H-indol-2-one
CID 110414865
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
The IUPAC name of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one (CID 113098307) is 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one is CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21.
What is the InChIKey of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
The InChIKey is KCTLVVQRXSLDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-20-16-6-5-15(12-14(16)13-18(20)23)26(24,25)22-10-8-21(9-11-22)17-4-2-3-7-19-17/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one?
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one has a molecular weight of 372.45 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one is sourced from PubChem (CID 113098307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).