1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol

C26H29N3O3S — CID 3601395

IUPAC1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-10-12-22(13-11-20)33(31,32)28-16-14-27(15-17-28)18-21(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,21,30H,14-19H2,1H3
InChIKeyTWDRSFCUCFTUHC-UHFFFAOYSA-N
MW463.60 g/mol
LogP3.47
Rot. Bonds6

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

1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol (PubChem CID 3601395) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
PubChem CID3601395
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC Name1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-10-12-22(13-11-20)33(31,32)28-16-14-27(15-17-28)18-21(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,21,30H,14-19H2,1H3
InChIKeyTWDRSFCUCFTUHC-UHFFFAOYSA-N
XLogP3.47
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-ol
CID 111105694
(2S)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-phenoxypropan-2-ol
CID 2440202
(2R)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 2427595
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025
1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072895
(2R)-1-(fluoren-9-ylideneamino)oxy-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 28868788
1-carbazol-9-yl-3-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]propan-2-ol;oxalic acid
CID 2905393
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890
1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-3-(3-phenoxyphenoxy)propan-2-ol
CID 2962063
N-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-N-ethyl-4-methylbenzenesulfonamide
CID 983506

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol (CID 3601395) is 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol is Cc1ccc(S(=O)(=O)N2CCN(CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1.
What is the InChIKey of 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
The InChIKey is TWDRSFCUCFTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-20-10-12-22(13-11-20)33(31,32)28-16-14-27(15-17-28)18-21(30)19-29-25-8-4-2-6-23(25)24-7-3-5-9-26(24)29/h2-13,21,30H,14-19H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol?
1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol has a molecular weight of 463.60 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3601395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).