1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

C23H27ClN2O4S — CID 28551622

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C23H27ClN2O4S/c1-30-21-10-9-18(24)15-22(21)31(28,29)26-13-11-17(12-14-26)23(27)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-10,15,17,20H,4,6,8,11-14H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyQTPAEPSZCLNJNT-HXUWFJFHSA-N
MW463.00 g/mol
LogP3.94
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (PubChem CID 28551622) has the molecular formula C23H27ClN2O4S and a molecular weight of 463.00 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
PubChem CID28551622
Molecular FormulaC23H27ClN2O4S
Molecular Weight463.00 g/mol
Exact Mass462.14
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1
InChIInChI=1S/C23H27ClN2O4S/c1-30-21-10-9-18(24)15-22(21)31(28,29)26-13-11-17(12-14-26)23(27)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-10,15,17,20H,4,6,8,11-14H2,1H3,(H,25,27)/t20-/m1/s1
InChIKeyQTPAEPSZCLNJNT-HXUWFJFHSA-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

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Related Compounds

1-(2,5-dichlorophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 28551085
1-(3,4-dimethoxyphenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 43873029
1-(4-chlorophenyl)sulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 3761947
1-[(2,4-dichlorophenyl)methylsulfonyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 30386446
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
(E)-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 40834105
1-(2-chloro-5-nitrophenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 92509453
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
1-ethylsulfonyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 17435645
1-(dimethylsulfamoyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 93487580
1-(4-methylsulfanylphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 99131679
N-butan-2-yl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 113002889

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide (CID 28551622) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
The InChIKey is QTPAEPSZCLNJNT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27ClN2O4S/c1-30-21-10-9-18(24)15-22(21)31(28,29)26-13-11-17(12-14-26)23(27)25-20-8-4-6-16-5-2-3-7-19(16)20/h2-3,5,7,9-10,15,17,20H,4,6,8,11-14H2,1H3,(H,25,27)/t20-/m1/s1.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-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-(5-chloro-2-methoxyphenyl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide is sourced from PubChem (CID 28551622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).