(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol

C23H29N3O4S — CID 92589994

IUPAC(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCCn1cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H29N3O4S/c1-3-25-16-21(20-6-4-5-7-22(20)25)23(27)17-24-12-14-26(15-13-24)31(28,29)19-10-8-18(30-2)9-11-19/h4-11,16,23,27H,3,12-15,17H2,1-2H3/t23-/m1/s1
InChIKeyZMHZMNZFSVWEQE-HSZRJFAPSA-N
MW443.57 g/mol
LogP2.71
Rot. Bonds7

About (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol

(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol (PubChem CID 92589994) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
PubChem CID92589994
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
SMILESCCn1cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21
InChIInChI=1S/C23H29N3O4S/c1-3-25-16-21(20-6-4-5-7-22(20)25)23(27)17-24-12-14-26(15-13-24)31(28,29)19-10-8-18(30-2)9-11-19/h4-11,16,23,27H,3,12-15,17H2,1-2H3/t23-/m1/s1
InChIKeyZMHZMNZFSVWEQE-HSZRJFAPSA-N
XLogP2.71
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-(1-ethylindol-3-yl)ethanol
CID 92589991
1-ethyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 843240
1-(9H-carbazol-4-yloxy)-3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 74322819
1-carbazol-9-yl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 3601395
1-(4-ethylphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684101
1-ethyl-4-[4-(2-methoxyphenoxy)phenyl]sulfonylpiperazine
CID 1190535
1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
4-ethyl-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-triazole-3-thione
CID 9234946
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 4882768
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
1-(4-methylphenoxy)-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-2-ol
CID 46798025

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol (CID 92589994) is (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol is CCn1cc([C@H](O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c2ccccc21.
What is the InChIKey of (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
The InChIKey is ZMHZMNZFSVWEQE-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-3-25-16-21(20-6-4-5-7-22(20)25)23(27)17-24-12-14-26(15-13-24)31(28,29)19-10-8-18(30-2)9-11-19/h4-11,16,23,27H,3,12-15,17H2,1-2H3/t23-/m1/s1.
What are the key properties of (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol?
(1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol has a molecular weight of 443.57 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-ethylindol-3-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol is sourced from PubChem (CID 92589994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).