[1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone

C14H16ClNO3S — CID 866668

IUPAC[1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H16ClNO3S/c15-11-3-5-12(6-4-11)20(18,19)14(7-8-14)13(17)16-9-1-2-10-16/h3-6H,1-2,7-10H2
InChIKeyQEWAHTHBVDFANM-UHFFFAOYSA-N
MW313.81 g/mol
LogP2.27
Rot. Bonds3

About [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone

[1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 866668) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID866668
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Name[1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H16ClNO3S/c15-11-3-5-12(6-4-11)20(18,19)14(7-8-14)13(17)16-9-1-2-10-16/h3-6H,1-2,7-10H2
InChIKeyQEWAHTHBVDFANM-UHFFFAOYSA-N
XLogP2.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Pyrrolidinone, 1-((4-chlorophenyl)sulfonyl)-
CID 667535
2-(4-Chlorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 875508
1-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone
CID 2726010
1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
CID 5309230
1-[(4-chlorophenyl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)cyclopropanecarboxamide
CID 3238139
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-1-pyrrolidin-1-ylethanone
CID 2819370
3-[2-(4-Chlorophenyl)sulfonylethyl]-1,3-thiazolidine-2,4-dione
CID 2820432
1-[(4-chlorophenyl)sulfonyl]-N-cyclohexyl-1-cyclopropanecarboxamide
CID 3406656
Azepan-1-yl-[1-(4-chlorophenyl)sulfonylcyclopropyl]methanone
CID 3474446
2-[2-(4-Chlorophenyl)sulfonylethylsulfanyl]-1-piperidin-1-ylethanone
CID 2819369
(1-((4-Chlorophenyl)sulfonyl)cyclopropyl)(piperidin-1-yl)methanone
CID 3248780
1-(4-chlorophenyl)sulfonyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 3248781

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone (CID 866668) is [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QEWAHTHBVDFANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S/c15-11-3-5-12(6-4-11)20(18,19)14(7-8-14)13(17)16-9-1-2-10-16/h3-6H,1-2,7-10H2.
What are the key properties of [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone?
[1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 313.81 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)sulfonylcyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 866668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).