6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one

C18H18N2O4S — CID 138377724

IUPAC6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3C3(O)CC3)c3cccc1c23
InChIInChI=1S/C18H18N2O4S/c21-17-12-4-1-3-11-14(7-6-13(19-17)16(11)12)25(23,24)20-10-2-5-15(20)18(22)8-9-18/h1,3-4,6-7,15,22H,2,5,8-10H2,(H,19,21)
InChIKeySQBHMNXOMBTWKT-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.08
Rot. Bonds3

About 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one

6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one (PubChem CID 138377724) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one.

Molecular Properties

Compound Name6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one
PubChem CID138377724
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one
SMILESO=C1Nc2ccc(S(=O)(=O)N3CCCC3C3(O)CC3)c3cccc1c23
InChIInChI=1S/C18H18N2O4S/c21-17-12-4-1-3-11-14(7-6-13(19-17)16(11)12)25(23,24)20-10-2-5-15(20)18(22)8-9-18/h1,3-4,6-7,15,22H,2,5,8-10H2,(H,19,21)
InChIKeySQBHMNXOMBTWKT-UHFFFAOYSA-N
XLogP2.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(9-methyl-10-oxo-1,9-diazaspiro[4.5]decan-1-yl)sulfonyl]-1H-benzo[cd]indol-2-one
CID 162632607
6-[[(3aR,7aS)-5-methyl-4-oxo-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-2-yl]sulfonyl]-1H-benzo[cd]indol-2-one
CID 138381911
6-[[(3aS,6aS)-3-oxo-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]-1H-benzo[cd]indol-2-one
CID 163316840
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131898474
2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 167420896
N-benzyl-N-methyl-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 1358127
2-oxo-N-[4-(phenylsulfamoyl)phenyl]-1H-benzo[cd]indole-6-sulfonamide
CID 55662957
1-[1-[2-methyl-5-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpyrrolidin-2-yl]cyclopropan-1-ol
CID 138385368
N-methyl-N-[2-(oxan-2-yl)ethyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 131939267
5-(4-methylphenyl)sulfonyl-1H-benzo[cd]indol-2-one
CID 22759555
(2S)-5-amino-5-oxo-2-[(2-oxo-1H-benzo[cd]indol-6-yl)sulfonylamino]pentanoate
CID 9403890
6-phenyl-1H-benzo[cd]indol-2-one
CID 165358771

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one?
The IUPAC name of 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one (CID 138377724) is 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one.
What is the SMILES notation for 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one?
The canonical SMILES for 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one is O=C1Nc2ccc(S(=O)(=O)N3CCCC3C3(O)CC3)c3cccc1c23.
What is the InChIKey of 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one?
The InChIKey is SQBHMNXOMBTWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c21-17-12-4-1-3-11-14(7-6-13(19-17)16(11)12)25(23,24)20-10-2-5-15(20)18(22)8-9-18/h1,3-4,6-7,15,22H,2,5,8-10H2,(H,19,21).
What are the key properties of 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one?
6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]sulfonyl-1H-benzo[cd]indol-2-one is sourced from PubChem (CID 138377724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).