N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide

C26H27ClN2O3S — CID 137373352

IUPACN-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide
SMILESO=C(NC(CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c27-23-13-11-22(12-14-23)26(30)28-25(21-7-3-1-4-8-21)19-20-15-17-29(18-16-20)33(31,32)24-9-5-2-6-10-24/h1-14,20,25H,15-19H2,(H,28,30)
InChIKeyBHXMEEACXIQHSV-UHFFFAOYSA-N
MW483.03 g/mol
LogP5.30
Rot. Bonds7

About N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide

N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide (PubChem CID 137373352) has the molecular formula C26H27ClN2O3S and a molecular weight of 483.03 g/mol. Its IUPAC name is N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide
PubChem CID137373352
Molecular FormulaC26H27ClN2O3S
Molecular Weight483.03 g/mol
Exact Mass482.14
IUPAC NameN-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide
SMILESO=C(NC(CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C26H27ClN2O3S/c27-23-13-11-22(12-14-23)26(30)28-25(21-7-3-1-4-8-21)19-20-15-17-29(18-16-20)33(31,32)24-9-5-2-6-10-24/h1-14,20,25H,15-19H2,(H,28,30)
InChIKeyBHXMEEACXIQHSV-UHFFFAOYSA-N
XLogP5.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.03
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethylpropyl 4-[2-[(4-chlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373327
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(3-methyl-1-phenylbutyl)benzamide
CID 43886772
4-(benzenesulfonyl)-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]piperazine-1-carboxamide
CID 41200236
tert-butyl 4-[2-[(3-chloro-4-fluorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373137
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
tert-butyl 4-[2-[(3,4-dichlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373331
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(1-phenylethyl)benzamide
CID 43918790
N-[1-(4-chlorophenyl)propyl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55497440
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99941907
4-(azepan-1-ylsulfonyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 31397272

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide (CID 137373352) is N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide is O=C(NC(CC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide?
The InChIKey is BHXMEEACXIQHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O3S/c27-23-13-11-22(12-14-23)26(30)28-25(21-7-3-1-4-8-21)19-20-15-17-29(18-16-20)33(31,32)24-9-5-2-6-10-24/h1-14,20,25H,15-19H2,(H,28,30).
What are the key properties of N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide?
N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide has a molecular weight of 483.03 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(benzenesulfonyl)piperidin-4-yl]-1-phenylethyl]-4-chlorobenzamide is sourced from PubChem (CID 137373352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).