1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide

C25H35ClN2O3S — CID 58702073

IUPAC1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(NC(=O)C1CCCN(S(=O)(=O)c4ccccc4Cl)C1)(C2)C3
InChIInChI=1S/C25H35ClN2O3S/c1-22-12-23(2)14-24(3,13-22)17-25(15-22,16-23)27-21(29)18-7-6-10-28(11-18)32(30,31)20-9-5-4-8-19(20)26/h4-5,8-9,18H,6-7,10-17H2,1-3H3,(H,27,29)
InChIKeyBIDVPFHFNADADT-UHFFFAOYSA-N
MW479.09 g/mol
LogP5.00
Rot. Bonds4

About 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide

1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide (PubChem CID 58702073) has the molecular formula C25H35ClN2O3S and a molecular weight of 479.09 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide
PubChem CID58702073
Molecular FormulaC25H35ClN2O3S
Molecular Weight479.09 g/mol
Exact Mass478.21
IUPAC Name1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide
SMILESCC12CC3(C)CC(C)(C1)CC(NC(=O)C1CCCN(S(=O)(=O)c4ccccc4Cl)C1)(C2)C3
InChIInChI=1S/C25H35ClN2O3S/c1-22-12-23(2)14-24(3,13-22)17-25(15-22,16-23)27-21(29)18-7-6-10-28(11-18)32(30,31)20-9-5-4-8-19(20)26/h4-5,8-9,18H,6-7,10-17H2,1-3H3,(H,27,29)
InChIKeyBIDVPFHFNADADT-UHFFFAOYSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.09
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,3a,4,7,7a-hexahydroisoindol-2-yl-[(3S)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 58702098
(3-chlorophenyl)-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 26327318
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
N-(1-adamantyl)-1-(5-chloro-2-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3230744
1-(2-chlorophenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959822
(3R)-N-tert-butyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396308
(3S)-1-(2-chlorophenyl)sulfonyl-N-(2-methylcyclopentyl)piperidine-3-carboxamide;(3S)-1-(2-chlorophenyl)sulfonylpiperidine-3-carboxylic acid;methane;2-methylcyclopentan-1-amine;hydrochloride
CID 158156525
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
methyl (3S)-1-(2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 79476883
N-[2-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]ethyl]cyclooctanecarboxamide
CID 173136747

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide (CID 58702073) is 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide is CC12CC3(C)CC(C)(C1)CC(NC(=O)C1CCCN(S(=O)(=O)c4ccccc4Cl)C1)(C2)C3.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide?
The InChIKey is BIDVPFHFNADADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN2O3S/c1-22-12-23(2)14-24(3,13-22)17-25(15-22,16-23)27-21(29)18-7-6-10-28(11-18)32(30,31)20-9-5-4-8-19(20)26/h4-5,8-9,18H,6-7,10-17H2,1-3H3,(H,27,29).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide?
1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide has a molecular weight of 479.09 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-N-(3,5,7-trimethyl-1-adamantyl)piperidine-3-carboxamide is sourced from PubChem (CID 58702073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).