1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide

C15H12Cl2N2O3S — CID 15999338

IUPAC1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H12Cl2N2O3S/c16-10-1-4-12(5-2-10)23(21,22)15(7-8-15)14(20)19-13-6-3-11(17)9-18-13/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyNGEQDOMWYURYRF-UHFFFAOYSA-N
MW371.25 g/mol
LogP3.33
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 15999338) has the molecular formula C15H12Cl2N2O3S and a molecular weight of 371.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID15999338
Molecular FormulaC15H12Cl2N2O3S
Molecular Weight371.25 g/mol
Exact Mass369.99
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H12Cl2N2O3S/c16-10-1-4-12(5-2-10)23(21,22)15(7-8-15)14(20)19-13-6-3-11(17)9-18-13/h1-6,9H,7-8H2,(H,18,19,20)
InChIKeyNGEQDOMWYURYRF-UHFFFAOYSA-N
XLogP3.33
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide (CID 15999338) is 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)cn1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is NGEQDOMWYURYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O3S/c16-10-1-4-12(5-2-10)23(21,22)15(7-8-15)14(20)19-13-6-3-11(17)9-18-13/h1-6,9H,7-8H2,(H,18,19,20).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 371.25 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(5-chloro-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 15999338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).