N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide

C17H15BrClNO3S — CID 22429129

IUPACN-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Br)c1
InChIInChI=1S/C17H15BrClNO3S/c1-11-2-7-15(14(18)10-11)20-16(21)17(8-9-17)24(22,23)13-5-3-12(19)4-6-13/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyYJFRFTJEJXDLJG-UHFFFAOYSA-N
MW428.74 g/mol
LogP4.36
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide

N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 22429129) has the molecular formula C17H15BrClNO3S and a molecular weight of 428.74 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID22429129
Molecular FormulaC17H15BrClNO3S
Molecular Weight428.74 g/mol
Exact Mass426.96
IUPAC NameN-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Br)c1
InChIInChI=1S/C17H15BrClNO3S/c1-11-2-7-15(14(18)10-11)20-16(21)17(8-9-17)24(22,23)13-5-3-12(19)4-6-13/h2-7,10H,8-9H2,1H3,(H,20,21)
InChIKeyYJFRFTJEJXDLJG-UHFFFAOYSA-N
XLogP4.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.74
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (CID 22429129) is N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is YJFRFTJEJXDLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3S/c1-11-2-7-15(14(18)10-11)20-16(21)17(8-9-17)24(22,23)13-5-3-12(19)4-6-13/h2-7,10H,8-9H2,1H3,(H,20,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 428.74 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 22429129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).