(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone

C24H23ClN2O4S — CID 141265377

IUPAC(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone
SMILESCS(=O)(=O)c1cc(-c2cc[nH]c2)ccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H23ClN2O4S/c1-32(30,31)22-14-18(19-8-11-26-15-19)4-7-21(22)24(29)27-12-9-17(10-13-27)23(28)16-2-5-20(25)6-3-16/h2-8,11,14-15,17,26H,9-10,12-13H2,1H3
InChIKeyPNUYZPKYIYXNBK-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.47
Rot. Bonds5

About (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone

(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone (PubChem CID 141265377) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone
PubChem CID141265377
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC Name(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone
SMILESCS(=O)(=O)c1cc(-c2cc[nH]c2)ccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H23ClN2O4S/c1-32(30,31)22-14-18(19-8-11-26-15-19)4-7-21(22)24(29)27-12-9-17(10-13-27)23(28)16-2-5-20(25)6-3-16/h2-8,11,14-15,17,26H,9-10,12-13H2,1H3
InChIKeyPNUYZPKYIYXNBK-UHFFFAOYSA-N
XLogP4.47
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67381086
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382032
(4R)-4-(hydroxymethyl)-3-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-3-methylsulfonylphenyl]-1,3-oxazolidin-2-one
CID 67382025
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 71251914
[1-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24682971
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone (CID 141265377) is (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone is CS(=O)(=O)c1cc(-c2cc[nH]c2)ccc1C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone?
The InChIKey is PNUYZPKYIYXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-32(30,31)22-14-18(19-8-11-26-15-19)4-7-21(22)24(29)27-12-9-17(10-13-27)23(28)16-2-5-20(25)6-3-16/h2-8,11,14-15,17,26H,9-10,12-13H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone has a molecular weight of 470.98 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-[2-methylsulfonyl-4-(1H-pyrrol-3-yl)benzoyl]piperidin-4-yl]methanone is sourced from PubChem (CID 141265377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).