N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide

C10H10ClNO3S — CID 2546196

IUPACN-(4-chlorophenyl)sulfonylcyclopropanecarboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKeyPJKWGQKAFCXILD-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.55
Rot. Bonds3

About N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide

N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide (PubChem CID 2546196) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonylcyclopropanecarboxamide
PubChem CID2546196
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC NameN-(4-chlorophenyl)sulfonylcyclopropanecarboxamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)
InChIKeyPJKWGQKAFCXILD-UHFFFAOYSA-N
XLogP1.55
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide?
The IUPAC name of N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide (CID 2546196) is N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide?
The InChIKey is PJKWGQKAFCXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-8-3-5-9(6-4-8)16(14,15)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13).
What are the key properties of N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide?
N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide has a molecular weight of 259.71 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonylcyclopropanecarboxamide is sourced from PubChem (CID 2546196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).