1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide

C19H26ClFN2O3S — CID 57398545

IUPAC1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H26ClFN2O3S/c20-17-13-15(21)7-8-18(17)27(25,26)23-11-9-14(10-12-23)19(24)22-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,22,24)
InChIKeyQRWSEHGCSWJOPC-UHFFFAOYSA-N
MW416.95 g/mol
LogP3.72
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide

1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide (PubChem CID 57398545) has the molecular formula C19H26ClFN2O3S and a molecular weight of 416.95 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
PubChem CID57398545
Molecular FormulaC19H26ClFN2O3S
Molecular Weight416.95 g/mol
Exact Mass416.13
IUPAC Name1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1
InChIInChI=1S/C19H26ClFN2O3S/c20-17-13-15(21)7-8-18(17)27(25,26)23-11-9-14(10-12-23)19(24)22-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,22,24)
InChIKeyQRWSEHGCSWJOPC-UHFFFAOYSA-N
XLogP3.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide (CID 57398545) is 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
The InChIKey is QRWSEHGCSWJOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O3S/c20-17-13-15(21)7-8-18(17)27(25,26)23-11-9-14(10-12-23)19(24)22-16-5-3-1-2-4-6-16/h7-8,13-14,16H,1-6,9-12H2,(H,22,24).
What are the key properties of 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide?
1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide has a molecular weight of 416.95 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)sulfonyl-N-cycloheptylpiperidine-4-carboxamide is sourced from PubChem (CID 57398545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).