1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide

C18H25ClN2O3S — CID 5309230

IUPAC1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)18(9-10-18)17(22)20-11-4-14-21-12-2-1-3-13-21/h5-8H,1-4,9-14H2,(H,20,22)
InChIKeyQSKUVWKJCPWVQE-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.64
Rot. Bonds7

About 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide (PubChem CID 5309230) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
PubChem CID5309230
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)18(9-10-18)17(22)20-11-4-14-21-12-2-1-3-13-21/h5-8H,1-4,9-14H2,(H,20,22)
InChIKeyQSKUVWKJCPWVQE-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-{2-[(4-Chlorophenyl)sulfonyl]ethyl}piperidine-4-carboxamide
CID 2821923
1-{3-[(4-Chlorophenyl)sulfanyl]propanoyl}piperidine-4-carboxamide
CID 778062
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 856925
3-(4-chlorophenyl)sulfonyl-N-cyclopentylpropanamide
CID 2078300
1-[(4-chlorophenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 6621465
4-Chloro-N-[3-(4-methyl-piperidin-1-yl)-3-oxo-propyl]-benzenesulfonamide
CID 3160568
1-[(4-chlorophenyl)sulfonyl]-N-(2-pyrrolidin-1-ylethyl)cyclopropanecarboxamide
CID 3238139
1-((4-chlorophenyl)sulfonyl)-N-(3-(2-oxopyrrolidin-1-yl)propyl)piperidine-4-carboxamide
CID 17591285
3-(2-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 24817922
3-(4-chlorophenyl)sulfonyl-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 24819683
1-[(4-chlorophenyl)sulfonyl]-N-cyclohexyl-1-cyclopropanecarboxamide
CID 3406656
4-[2-(4-Chlorophenyl)sulfonylethyl]piperazin-2-one
CID 31372574

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide (CID 5309230) is 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide is O=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
The InChIKey is QSKUVWKJCPWVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c19-15-5-7-16(8-6-15)25(23,24)18(9-10-18)17(22)20-11-4-14-21-12-2-1-3-13-21/h5-8H,1-4,9-14H2,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide has a molecular weight of 384.93 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(3-piperidin-1-ylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 5309230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).