[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C20H20ClN3O4S — CID 46445914

IUPAC[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)[nH]c2c1
InChIInChI=1S/C20H20ClN3O4S/c1-28-15-7-6-14-12-18(22-17(14)13-15)20(25)23-8-10-24(11-9-23)29(26,27)19-5-3-2-4-16(19)21/h2-7,12-13,22H,8-11H2,1H3
InChIKeyMBRXVGMVFWBWNY-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.98
Rot. Bonds4

About [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 46445914) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID46445914
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)[nH]c2c1
InChIInChI=1S/C20H20ClN3O4S/c1-28-15-7-6-14-12-18(22-17(14)13-15)20(25)23-8-10-24(11-9-23)29(26,27)19-5-3-2-4-16(19)21/h2-7,12-13,22H,8-11H2,1H3
InChIKeyMBRXVGMVFWBWNY-UHFFFAOYSA-N
XLogP2.98
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 46445914) is [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Cl)CC3)[nH]c2c1.
What is the InChIKey of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is MBRXVGMVFWBWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-28-15-7-6-14-12-18(22-17(14)13-15)20(25)23-8-10-24(11-9-23)29(26,27)19-5-3-2-4-16(19)21/h2-7,12-13,22H,8-11H2,1H3.
What are the key properties of [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 433.92 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 46445914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).