1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide

C14H18ClNO3S — CID 47340494

IUPAC1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)9-3-8-16-13(17)14(6-7-14)11-4-2-5-12(15)10-11/h2,4-5,10H,3,6-9H2,1H3,(H,16,17)
InChIKeyXURSLPDPSXALLC-UHFFFAOYSA-N
MW315.82 g/mol
LogP1.92
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide (PubChem CID 47340494) has the molecular formula C14H18ClNO3S and a molecular weight of 315.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
PubChem CID47340494
Molecular FormulaC14H18ClNO3S
Molecular Weight315.82 g/mol
Exact Mass315.07
IUPAC Name1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide
SMILESCS(=O)(=O)CCCNC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClNO3S/c1-20(18,19)9-3-8-16-13(17)14(6-7-14)11-4-2-5-12(15)10-11/h2,4-5,10H,3,6-9H2,1H3,(H,16,17)
InChIKeyXURSLPDPSXALLC-UHFFFAOYSA-N
XLogP1.92
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.82
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide (CID 47340494) is 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide is CS(=O)(=O)CCCNC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
The InChIKey is XURSLPDPSXALLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3S/c1-20(18,19)9-3-8-16-13(17)14(6-7-14)11-4-2-5-12(15)10-11/h2,4-5,10H,3,6-9H2,1H3,(H,16,17).
What are the key properties of 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide has a molecular weight of 315.82 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(3-methylsulfonylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 47340494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).