1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol

C26H29N3O5S — CID 74322819

IUPAC1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-20-9-11-21(12-10-20)35(31,32)29-15-13-28(14-16-29)17-19(30)18-34-25-8-4-7-24-26(25)22-5-2-3-6-23(22)27-24/h2-12,19,27,30H,13-18H2,1H3
InChIKeyBAPGKMYTQCVWNQ-UHFFFAOYSA-N
MW495.60 g/mol
LogP3.08
Rot. Bonds8

About 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol

1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 74322819) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID74322819
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC Name1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCOc1ccc(S(=O)(=O)N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1
InChIInChI=1S/C26H29N3O5S/c1-33-20-9-11-21(12-10-20)35(31,32)29-15-13-28(14-16-29)17-19(30)18-34-25-8-4-7-24-26(25)22-5-2-3-6-23(22)27-24/h2-12,19,27,30H,13-18H2,1H3
InChIKeyBAPGKMYTQCVWNQ-UHFFFAOYSA-N
XLogP3.08
TPSA95.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(9H-carbazol-4-yloxy)-3-[4-[(2-methoxyphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162317183
(2S)-1-(9H-carbazol-4-yloxy)-3-[(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methylamino]propan-2-ol
CID 10230721
1-(9H-carbazol-4-yloxy)-3-[4-[(2-methylphenoxy)methyl]piperidin-1-yl]propan-2-ol;hydrochloride
CID 162308822
1-(9H-carbazol-4-yloxy)-3-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]propan-2-ol
CID 16730732
1,3-bis(9H-carbazol-4-yloxy)propan-2-ol
CID 71314054
[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 16730886
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
2-[[1-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperidin-4-yl]methyl]benzo[de]isoquinoline-1,3-dione
CID 46889670
1-[4-[3-(9H-carbazol-4-yloxy)-2-hydroxypropyl]piperazin-1-yl]-2-pyridin-3-ylethanone
CID 16730970
1-[3-[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 55473085
1-(2-chlorophenoxy)-3-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]propan-2-ol
CID 112799354

Frequently Asked Questions

What is the IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 74322819) is 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol is COc1ccc(S(=O)(=O)N2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1.
What is the InChIKey of 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is BAPGKMYTQCVWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-33-20-9-11-21(12-10-20)35(31,32)29-15-13-28(14-16-29)17-19(30)18-34-25-8-4-7-24-26(25)22-5-2-3-6-23(22)27-24/h2-12,19,27,30H,13-18H2,1H3.
What are the key properties of 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 495.60 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 74322819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).