5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

C17H18N4O4S — CID 110805342

IUPAC5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)ccc2N1
InChIInChI=1S/C17H18N4O4S/c22-16-11-12-10-13(3-4-14(12)19-16)26(24,25)21-8-6-20(7-9-21)17(23)15-2-1-5-18-15/h1-5,10,18H,6-9,11H2,(H,19,22)
InChIKeyJDTASVOKYDSASR-UHFFFAOYSA-N
MW374.42 g/mol
LogP0.66
Rot. Bonds3

About 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one

5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (PubChem CID 110805342) has the molecular formula C17H18N4O4S and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
PubChem CID110805342
Molecular FormulaC17H18N4O4S
Molecular Weight374.42 g/mol
Exact Mass374.10
IUPAC Name5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)ccc2N1
InChIInChI=1S/C17H18N4O4S/c22-16-11-12-10-13(3-4-14(12)19-16)26(24,25)21-8-6-20(7-9-21)17(23)15-2-1-5-18-15/h1-5,10,18H,6-9,11H2,(H,19,22)
InChIKeyJDTASVOKYDSASR-UHFFFAOYSA-N
XLogP0.66
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 113076621
5-(4-pentylpiperazin-1-yl)sulfonyl-1,3-dihydroindol-2-one
CID 113075154
6-[4-(1H-pyrrole-2-carbonyl)piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 110815253
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51211814
[4-(1-methylbenzimidazol-5-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805478
4-(1H-pyrrole-2-carbonyl)piperazine-1-sulfonamide
CID 61128995
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 66291252
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 51212660
6-(4-propanoylpiperazin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 110817203
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080
5-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110873172

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one (CID 110805342) is 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is O=C1Cc2cc(S(=O)(=O)N3CCN(C(=O)c4ccc[nH]4)CC3)ccc2N1.
What is the InChIKey of 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
The InChIKey is JDTASVOKYDSASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S/c22-16-11-12-10-13(3-4-14(12)19-16)26(24,25)21-8-6-20(7-9-21)17(23)15-2-1-5-18-15/h1-5,10,18H,6-9,11H2,(H,19,22).
What are the key properties of 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one?
5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one has a molecular weight of 374.42 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 110805342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).