2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid

C23H24Cl2N2O5S — CID 155267589

IUPAC2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(S(=O)(=O)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1Cc1ccccc1
InChIInChI=1S/C23H24Cl2N2O5S/c24-16-6-7-19(20(25)13-16)23(9-10-23)21(28)26-33(31,32)18-8-11-27(22(29)30)17(14-18)12-15-4-2-1-3-5-15/h1-7,13,17-18H,8-12,14H2,(H,26,28)(H,29,30)
InChIKeyREVXGCWZGZVTMM-UHFFFAOYSA-N
MW511.43 g/mol
LogP4.22
Rot. Bonds6

About 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid

2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid (PubChem CID 155267589) has the molecular formula C23H24Cl2N2O5S and a molecular weight of 511.43 g/mol. Its IUPAC name is 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid
PubChem CID155267589
Molecular FormulaC23H24Cl2N2O5S
Molecular Weight511.43 g/mol
Exact Mass510.08
IUPAC Name2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(S(=O)(=O)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1Cc1ccccc1
InChIInChI=1S/C23H24Cl2N2O5S/c24-16-6-7-19(20(25)13-16)23(9-10-23)21(28)26-33(31,32)18-8-11-27(22(29)30)17(14-18)12-15-4-2-1-3-5-15/h1-7,13,17-18H,8-12,14H2,(H,26,28)(H,29,30)
InChIKeyREVXGCWZGZVTMM-UHFFFAOYSA-N
XLogP4.22
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.43
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 1448350
2-benzyl-4-methylpiperidine-1-carboxylic acid
CID 175595990
N-[(2S)-1-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-1-oxo-4-phenylbutan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 46892214
4-(azetidin-3-yloxy)-2-benzylpiperidine-1-carboxylic acid
CID 146458540
N-[3-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 75229212
[(2S,4S)-2-benzyl-4-[(4-chlorophenyl)methylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851598
(2S)-2-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]amino]-3-(1-methylcyclopropyl)propanoic acid
CID 68795430
N-[(2S)-1-amino-3-(2,4-dichlorophenyl)-1-oxopropan-2-yl]-N-(1-benzylpyrrolidin-3-yl)-1-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 68759016
[(2S,4S)-2-benzyl-4-[2-(4-chlorophenyl)ethylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851591
[(2S,4S)-2-benzyl-4-[2-(4-chlorophenyl)ethylamino]piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 57053086
[(2R,4S)-2-benzyl-4-[2-(4-chlorophenyl)ethylamino]piperidin-1-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 22851576
2-benzyl-5-fluoropiperidine-1-carboxylic acid
CID 175168412

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid (CID 155267589) is 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(S(=O)(=O)NC(=O)C2(c3ccc(Cl)cc3Cl)CC2)CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid?
The InChIKey is REVXGCWZGZVTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O5S/c24-16-6-7-19(20(25)13-16)23(9-10-23)21(28)26-33(31,32)18-8-11-27(22(29)30)17(14-18)12-15-4-2-1-3-5-15/h1-7,13,17-18H,8-12,14H2,(H,26,28)(H,29,30).
What are the key properties of 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid?
2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid has a molecular weight of 511.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]sulfamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 155267589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).