2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide

C18H18Cl2N2O3S — CID 55588147

IUPAC2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c19-12-4-3-5-13(10-12)26(24,25)22-9-8-21-18(23)16-11-15(16)14-6-1-2-7-17(14)20/h1-7,10,15-16,22H,8-9,11H2,(H,21,23)
InChIKeyYHXSCTOKKBKYSW-UHFFFAOYSA-N
MW413.33 g/mol
LogP3.19
Rot. Bonds7

About 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide (PubChem CID 55588147) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
PubChem CID55588147
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC Name2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C18H18Cl2N2O3S/c19-12-4-3-5-13(10-12)26(24,25)22-9-8-21-18(23)16-11-15(16)14-6-1-2-7-17(14)20/h1-7,10,15-16,22H,8-9,11H2,(H,21,23)
InChIKeyYHXSCTOKKBKYSW-UHFFFAOYSA-N
XLogP3.19
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 97339931
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119704304
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
2-(2-chlorophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]cyclopropane-1-carboxamide
CID 55723456
N-[2-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]ethyl]-4-hydroxybenzamide
CID 52531252
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
trans-(1R,2R)-N-[2-(ethylsulfonylamino)ethyl]-2-naphthalen-1-ylcyclopropane-1-carboxamide
CID 95157526
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 55963352
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 119465831
2-(2-chlorophenyl)-N-[2-(N-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 55474575

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide (CID 55588147) is 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide is O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide?
The InChIKey is YHXSCTOKKBKYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c19-12-4-3-5-13(10-12)26(24,25)22-9-8-21-18(23)16-11-15(16)14-6-1-2-7-17(14)20/h1-7,10,15-16,22H,8-9,11H2,(H,21,23).
What are the key properties of 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide has a molecular weight of 413.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55588147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).