N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide

C14H19ClN2O4S — CID 91646432

IUPACN-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(CC(=O)NS(=O)(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-21-12-5-2-10(3-6-12)8-13(18)17-22(19,20)14-7-4-11(15)9-16-14/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,17,18)
InChIKeyLVSLHZLRECSHRJ-UHFFFAOYSA-N
MW346.84 g/mol
LogP2.14
Rot. Bonds5

About N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide

N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide (PubChem CID 91646432) has the molecular formula C14H19ClN2O4S and a molecular weight of 346.84 g/mol. Its IUPAC name is N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide
PubChem CID91646432
Molecular FormulaC14H19ClN2O4S
Molecular Weight346.84 g/mol
Exact Mass346.08
IUPAC NameN-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide
SMILESCOC1CCC(CC(=O)NS(=O)(=O)c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H19ClN2O4S/c1-21-12-5-2-10(3-6-12)8-13(18)17-22(19,20)14-7-4-11(15)9-16-14/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,17,18)
InChIKeyLVSLHZLRECSHRJ-UHFFFAOYSA-N
XLogP2.14
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.84
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide?
The IUPAC name of N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide (CID 91646432) is N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide.
What is the SMILES notation for N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide?
The canonical SMILES for N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide is COC1CCC(CC(=O)NS(=O)(=O)c2ccc(Cl)cn2)CC1.
What is the InChIKey of N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide?
The InChIKey is LVSLHZLRECSHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4S/c1-21-12-5-2-10(3-6-12)8-13(18)17-22(19,20)14-7-4-11(15)9-16-14/h4,7,9-10,12H,2-3,5-6,8H2,1H3,(H,17,18).
What are the key properties of N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide?
N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide has a molecular weight of 346.84 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-pyridinyl)sulfonyl]-2-(4-methoxycyclohexyl)acetamide is sourced from PubChem (CID 91646432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).