3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one

C24H26ClN3O4S — CID 66854508

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(C2Cn3cncc3C2O)CC1
InChIInChI=1S/C24H26ClN3O4S/c25-19-3-1-18-12-20(4-2-17(18)11-19)33(31,32)10-7-23(29)27-8-5-16(6-9-27)21-14-28-15-26-13-22(28)24(21)30/h1-4,11-13,15-16,21,24,30H,5-10,14H2
InChIKeySVCCMVMHFFILCI-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.46
Rot. Bonds5

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one (PubChem CID 66854508) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one
PubChem CID66854508
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(C2Cn3cncc3C2O)CC1
InChIInChI=1S/C24H26ClN3O4S/c25-19-3-1-18-12-20(4-2-17(18)11-19)33(31,32)10-7-23(29)27-8-5-16(6-9-27)21-14-28-15-26-13-22(28)24(21)30/h1-4,11-13,15-16,21,24,30H,5-10,14H2
InChIKeySVCCMVMHFFILCI-UHFFFAOYSA-N
XLogP3.46
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
CID 66852882
1-[4-(2-butylimidazol-1-yl)piperidin-1-yl]-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
CID 66853646
5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1-methyl-2-(methylamino)-5,6-dihydrocyclopenta[b]pyrrol-4-one
CID 91346628
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 161276041
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853029
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-1H-imidazo[1,2-c]imidazol-5-one
CID 91258829
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 66854005
prop-2-enyl (NZ)-N-[5-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-1,3-thiazol-2-ylidene]carbamate
CID 140536539
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[[5-(hydroxymethyl)-3-methyl-2-methylimino-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 23130926
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
CID 139991550
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[2-(hydroxymethyl)-4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]propan-1-one
CID 139991602

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one (CID 66854508) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(C2Cn3cncc3C2O)CC1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one?
The InChIKey is SVCCMVMHFFILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c25-19-3-1-18-12-20(4-2-17(18)11-19)33(31,32)10-7-23(29)27-8-5-16(6-9-27)21-14-28-15-26-13-22(28)24(21)30/h1-4,11-13,15-16,21,24,30H,5-10,14H2.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one has a molecular weight of 488.01 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 66854508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).