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

C16H13Cl2NO3S — CID 15999936

IUPACN-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H13Cl2NO3S/c17-11-5-7-12(8-6-11)23(21,22)16(9-10-16)15(20)19-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,19,20)
InChIKeyGKYYELJJEIKTGN-UHFFFAOYSA-N
MW370.26 g/mol
LogP3.94
Rot. Bonds4

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

N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (PubChem CID 15999936) has the molecular formula C16H13Cl2NO3S and a molecular weight of 370.26 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
PubChem CID15999936
Molecular FormulaC16H13Cl2NO3S
Molecular Weight370.26 g/mol
Exact Mass369.00
IUPAC NameN-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H13Cl2NO3S/c17-11-5-7-12(8-6-11)23(21,22)16(9-10-16)15(20)19-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,19,20)
InChIKeyGKYYELJJEIKTGN-UHFFFAOYSA-N
XLogP3.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide (CID 15999936) is N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is O=C(Nc1ccccc1Cl)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
The InChIKey is GKYYELJJEIKTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3S/c17-11-5-7-12(8-6-11)23(21,22)16(9-10-16)15(20)19-14-4-2-1-3-13(14)18/h1-8H,9-10H2,(H,19,20).
What are the key properties of N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide?
N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide has a molecular weight of 370.26 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(4-chlorophenyl)sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 15999936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).