N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide

C12H14ClNO3S — CID 84597902

IUPACN-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C2CCC2)c1Cl
InChIInChI=1S/C12H14ClNO3S/c1-8-4-2-7-10(11(8)13)18(16,17)14-12(15)9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H,14,15)
InChIKeyUATDULGUOKKLHF-UHFFFAOYSA-N
MW287.77 g/mol
LogP2.25
Rot. Bonds3

About N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide

N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide (PubChem CID 84597902) has the molecular formula C12H14ClNO3S and a molecular weight of 287.77 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide
PubChem CID84597902
Molecular FormulaC12H14ClNO3S
Molecular Weight287.77 g/mol
Exact Mass287.04
IUPAC NameN-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide
SMILESCc1cccc(S(=O)(=O)NC(=O)C2CCC2)c1Cl
InChIInChI=1S/C12H14ClNO3S/c1-8-4-2-7-10(11(8)13)18(16,17)14-12(15)9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H,14,15)
InChIKeyUATDULGUOKKLHF-UHFFFAOYSA-N
XLogP2.25
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide (CID 84597902) is N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide is Cc1cccc(S(=O)(=O)NC(=O)C2CCC2)c1Cl.
What is the InChIKey of N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide?
The InChIKey is UATDULGUOKKLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3S/c1-8-4-2-7-10(11(8)13)18(16,17)14-12(15)9-5-3-6-9/h2,4,7,9H,3,5-6H2,1H3,(H,14,15).
What are the key properties of N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide?
N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide has a molecular weight of 287.77 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)sulfonylcyclobutanecarboxamide is sourced from PubChem (CID 84597902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).