2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone

C26H27ClN2O3S — CID 110825251

IUPAC2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c27-23-8-6-22(7-9-23)26(30)19-28-24-10-12-25(13-11-24)33(31,32)29-16-14-21(15-17-29)18-20-4-2-1-3-5-20/h1-13,21,28H,14-19H2
InChIKeyAGHPCXSWUUEIFO-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.28
Rot. Bonds8

About 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone

2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone (PubChem CID 110825251) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone
PubChem CID110825251
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC Name2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone
SMILESO=C(CNc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c27-23-8-6-22(7-9-23)26(30)19-28-24-10-12-25(13-11-24)33(31,32)29-16-14-21(15-17-29)18-20-4-2-1-3-5-20/h1-13,21,28H,14-19H2
InChIKeyAGHPCXSWUUEIFO-UHFFFAOYSA-N
XLogP5.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110827989
2-[4-(azepan-1-ylsulfonyl)anilino]-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110828288
4-(4-benzylpiperidin-1-yl)sulfonyl-N-butylaniline
CID 110826779
1-(4-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]ethanone
CID 110825380
4-(4-benzylpiperidin-1-yl)sulfonyl-N-hexylaniline
CID 110826840
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 26590971
2-(4-bromoanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824094
2-(4-fluoroanilino)-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824126
2-[4-(2,6-dimethylmorpholin-4-yl)sulfonylanilino]-1-phenylethanone
CID 110825143
2-(2-fluoroanilino)-1-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]ethanone
CID 110824174
1-(4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylsulfonylanilino)ethanone
CID 110828401

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone?
The IUPAC name of 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone (CID 110825251) is 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone.
What is the SMILES notation for 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone?
The canonical SMILES for 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone is O=C(CNc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone?
The InChIKey is AGHPCXSWUUEIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c27-23-8-6-22(7-9-23)26(30)19-28-24-10-12-25(13-11-24)33(31,32)29-16-14-21(15-17-29)18-20-4-2-1-3-5-20/h1-13,21,28H,14-19H2.
What are the key properties of 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone?
2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone has a molecular weight of 483.03 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone is sourced from PubChem (CID 110825251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).