1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

C23H27ClN2O4S — CID 133189561

IUPAC1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O4S/c1-30-19-9-12-21-16(14-19)4-2-6-22(21)25-23(27)17-5-3-13-26(15-17)31(28,29)20-10-7-18(24)8-11-20/h7-12,14,17,22H,2-6,13,15H2,1H3,(H,25,27)
InChIKeyKTPGKMYIGFYNSW-UHFFFAOYSA-N
MW463.00 g/mol
LogP3.94
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (PubChem CID 133189561) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
PubChem CID133189561
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C23H27ClN2O4S/c1-30-19-9-12-21-16(14-19)4-2-6-22(21)25-23(27)17-5-3-13-26(15-17)31(28,29)20-10-7-18(24)8-11-20/h7-12,14,17,22H,2-6,13,15H2,1H3,(H,25,27)
InChIKeyKTPGKMYIGFYNSW-UHFFFAOYSA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.00
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 125072549
(3R)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118366
1-(4-methoxyphenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100657012
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 93302727
(3R)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-3-carboxamide
CID 99970575
1-(4-fluorophenyl)sulfonyl-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 100653363
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100676288
N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylpiperidine-4-carboxamide
CID 95706262
(3S)-1-(benzenesulfonyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-3-carboxamide
CID 35763626
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
methyl (3S)-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate
CID 52547987

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide (CID 133189561) is 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is COc1ccc2c(c1)CCCC2NC(=O)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
The InChIKey is KTPGKMYIGFYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-30-19-9-12-21-16(14-19)4-2-6-22(21)25-23(27)17-5-3-13-26(15-17)31(28,29)20-10-7-18(24)8-11-20/h7-12,14,17,22H,2-6,13,15H2,1H3,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide has a molecular weight of 463.00 g/mol, XLogP of 3.94, 5 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133189561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).