N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

C18H18Cl2N2O3S — CID 55598275

IUPACN-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H18Cl2N2O3S/c1-11(22-26(24,25)17-9-14(19)8-15(20)10-17)12-4-6-16(7-5-12)21-18(23)13-2-3-13/h4-11,13,22H,2-3H2,1H3,(H,21,23)
InChIKeyCJXSTKGOMLMZCI-UHFFFAOYSA-N
MW413.33 g/mol
LogP4.38
Rot. Bonds6

About N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55598275) has the molecular formula C18H18Cl2N2O3S and a molecular weight of 413.33 g/mol. Its IUPAC name is N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55598275
Molecular FormulaC18H18Cl2N2O3S
Molecular Weight413.33 g/mol
Exact Mass412.04
IUPAC NameN-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H18Cl2N2O3S/c1-11(22-26(24,25)17-9-14(19)8-15(20)10-17)12-4-6-16(7-5-12)21-18(23)13-2-3-13/h4-11,13,22H,2-3H2,1H3,(H,21,23)
InChIKeyCJXSTKGOMLMZCI-UHFFFAOYSA-N
XLogP4.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.33
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-[(3,4-dimethylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595962
N-[4-[1-[(3-chloro-2-methylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55691640
N-[4-[1-[(4-cyclohexylphenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55598955
ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[3-[(3,5-dichlorophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35541069
N-[4-[(1R)-1-(2-methoxyethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 95733866
N-[4-[1-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46599200
N-[4-[1-(4-propan-2-ylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 22201175
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[4-[1-(naphthalen-2-ylmethylsulfonylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 75396185
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55598275) is N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is CC(NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is CJXSTKGOMLMZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3S/c1-11(22-26(24,25)17-9-14(19)8-15(20)10-17)12-4-6-16(7-5-12)21-18(23)13-2-3-13/h4-11,13,22H,2-3H2,1H3,(H,21,23).
What are the key properties of N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 413.33 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(3,5-dichlorophenyl)sulfonylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55598275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).