1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole

C19H21N3O3S — CID 59781304

IUPAC1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(N4CCNCC4)cc32)cc1
InChIInChI=1S/C19H21N3O3S/c1-25-17-4-6-18(7-5-17)26(23,24)22-11-8-15-2-3-16(14-19(15)22)21-12-9-20-10-13-21/h2-8,11,14,20H,9-10,12-13H2,1H3
InChIKeyGZZIABFQFUTFAP-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.30
Rot. Bonds4

About 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole

1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole (PubChem CID 59781304) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
PubChem CID59781304
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
SMILESCOc1ccc(S(=O)(=O)n2ccc3ccc(N4CCNCC4)cc32)cc1
InChIInChI=1S/C19H21N3O3S/c1-25-17-4-6-18(7-5-17)26(23,24)22-11-8-15-2-3-16(14-19(15)22)21-12-9-20-10-13-21/h2-8,11,14,20H,9-10,12-13H2,1H3
InChIKeyGZZIABFQFUTFAP-UHFFFAOYSA-N
XLogP2.30
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
1-[1-(4-methoxyphenyl)sulfonylpyrrol-3-yl]piperazine
CID 69279450
1-(4-phenylphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 139997494
1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
CID 158369892
1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxyindole
CID 71493853
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
3-(difluoromethyl)-1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylindole
CID 118654355
N-[2-chloro-5-(6-methoxyindol-1-yl)sulfonylphenyl]-1-methylpiperidin-4-amine;hydrochloride
CID 71462619
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
1-(4-methoxyphenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperazine
CID 1168311
1-naphthalen-2-ylsulfonyl-4-piperazin-1-ylindole;dihydrochloride
CID 10183265

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole (CID 59781304) is 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole is COc1ccc(S(=O)(=O)n2ccc3ccc(N4CCNCC4)cc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole?
The InChIKey is GZZIABFQFUTFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-25-17-4-6-18(7-5-17)26(23,24)22-11-8-15-2-3-16(14-19(15)22)21-12-9-20-10-13-21/h2-8,11,14,20H,9-10,12-13H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole?
1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole has a molecular weight of 371.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole is sourced from PubChem (CID 59781304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).