N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide

C17H15Cl2NO3S — CID 15994262

IUPACN-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15Cl2NO3S/c18-13-5-7-14(8-6-13)24(22,23)17(9-10-17)16(21)20-11-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,20,21)
InChIKeyCZRFEEIZDCJIRK-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.62
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide

N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 15994262) has the molecular formula C17H15Cl2NO3S and a molecular weight of 384.28 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID15994262
Molecular FormulaC17H15Cl2NO3S
Molecular Weight384.28 g/mol
Exact Mass383.01
IUPAC NameN-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H15Cl2NO3S/c18-13-5-7-14(8-6-13)24(22,23)17(9-10-17)16(21)20-11-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,20,21)
InChIKeyCZRFEEIZDCJIRK-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (CID 15994262) is N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is O=C(NCc1ccccc1Cl)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is CZRFEEIZDCJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO3S/c18-13-5-7-14(8-6-13)24(22,23)17(9-10-17)16(21)20-11-12-3-1-2-4-15(12)19/h1-8H,9-11H2,(H,20,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 384.28 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 15994262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).