[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone

C18H17Cl2NO4S — CID 155535403

IUPAC[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H17Cl2NO4S/c19-12-10-15(20)17(16(22)11-12)18(23)21-8-6-14(7-9-21)26(24,25)13-4-2-1-3-5-13/h1-5,10-11,14,22H,6-9H2
InChIKeyIJUJYKVTBUESOE-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.78
Rot. Bonds3

About [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone

[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone (PubChem CID 155535403) has the molecular formula C18H17Cl2NO4S and a molecular weight of 414.31 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone
PubChem CID155535403
Molecular FormulaC18H17Cl2NO4S
Molecular Weight414.31 g/mol
Exact Mass413.03
IUPAC Name[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone
SMILESO=C(c1c(O)cc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C18H17Cl2NO4S/c19-12-10-15(20)17(16(22)11-12)18(23)21-8-6-14(7-9-21)26(24,25)13-4-2-1-3-5-13/h1-5,10-11,14,22H,6-9H2
InChIKeyIJUJYKVTBUESOE-UHFFFAOYSA-N
XLogP3.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone?
The IUPAC name of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone (CID 155535403) is [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone is O=C(c1c(O)cc(Cl)cc1Cl)N1CCC(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone?
The InChIKey is IJUJYKVTBUESOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4S/c19-12-10-15(20)17(16(22)11-12)18(23)21-8-6-14(7-9-21)26(24,25)13-4-2-1-3-5-13/h1-5,10-11,14,22H,6-9H2.
What are the key properties of [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone?
[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone has a molecular weight of 414.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dichloro-6-hydroxyphenyl)methanone is sourced from PubChem (CID 155535403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).