(1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide

C24H30Cl2N2O3S — CID 70267962

IUPAC(1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide
SMILESO=C(NCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)C12C[C@@H]3C[C@@H]4C[C@H](C1)C2(C4)C3
InChIInChI=1S/C24H30Cl2N2O3S/c25-19-3-4-21(20(26)8-19)32(30,31)28-5-1-2-15(14-28)13-27-22(29)24-11-17-6-16-7-18(12-24)23(24,9-16)10-17/h3-4,8,15-18H,1-2,5-7,9-14H2,(H,27,29)/t15?,16-,17-,18-,23?,24?/m1/s1
InChIKeyKVYKTKCMSZFIDL-TULZXRNESA-N
MW497.49 g/mol
LogP4.73
Rot. Bonds5

About (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide

(1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide (PubChem CID 70267962) has the molecular formula C24H30Cl2N2O3S and a molecular weight of 497.49 g/mol. Its IUPAC name is (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide.

Molecular Properties

Compound Name(1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide
PubChem CID70267962
Molecular FormulaC24H30Cl2N2O3S
Molecular Weight497.49 g/mol
Exact Mass496.14
IUPAC Name(1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide
SMILESO=C(NCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)C12C[C@@H]3C[C@@H]4C[C@H](C1)C2(C4)C3
InChIInChI=1S/C24H30Cl2N2O3S/c25-19-3-4-21(20(26)8-19)32(30,31)28-5-1-2-15(14-28)13-27-22(29)24-11-17-6-16-7-18(12-24)23(24,9-16)10-17/h3-4,8,15-18H,1-2,5-7,9-14H2,(H,27,29)/t15?,16-,17-,18-,23?,24?/m1/s1
InChIKeyKVYKTKCMSZFIDL-TULZXRNESA-N
XLogP4.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide with MolForge

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Related Compounds

N-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]cyclooctanecarboxamide
CID 173136420
1-cyclooctyl-3-[[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methyl]urea;methane
CID 173136289
2-[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]-N-morpholin-4-ylacetamide
CID 24961532
[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 134374890
1-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine
CID 61206042
2-[[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 120894316
(3R)-1-(2,4-dichlorophenyl)sulfonyl-3-methylpiperidine
CID 27210471
methyl 3-chloro-4-[3-(methylaminomethyl)piperidin-1-yl]sulfonylbenzoate
CID 119961224
1-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961191
2-[1-(2,4-dichlorophenyl)sulfonylpyrrolidin-2-yl]-N-[(5S,7R)-3-methyl-1-adamantyl]acetamide
CID 143812145
[1-(2,4-dichlorophenyl)sulfonylpiperidin-4-yl]methanol
CID 66570215
N-[(2,4-dichlorophenyl)methyl]-2-[[[(1R,7S)-3-tetracyclo[5.3.1.03,9.05,9]undecanyl]carbamoylamino]methyl]pyrrolidine-1-carboxamide
CID 70267659

Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide?
The IUPAC name of (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide (CID 70267962) is (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide.
What is the SMILES notation for (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide?
The canonical SMILES for (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide is O=C(NCC1CCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1)C12C[C@@H]3C[C@@H]4C[C@H](C1)C2(C4)C3.
What is the InChIKey of (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide?
The InChIKey is KVYKTKCMSZFIDL-TULZXRNESA-N. The full InChI is InChI=1S/C24H30Cl2N2O3S/c25-19-3-4-21(20(26)8-19)32(30,31)28-5-1-2-15(14-28)13-27-22(29)24-11-17-6-16-7-18(12-24)23(24,9-16)10-17/h3-4,8,15-18H,1-2,5-7,9-14H2,(H,27,29)/t15?,16-,17-,18-,23?,24?/m1/s1.
What are the key properties of (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide?
(1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide has a molecular weight of 497.49 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R)-N-[[1-(2,4-dichlorophenyl)sulfonylpiperidin-3-yl]methyl]tetracyclo[5.3.1.03,9.05,9]undecane-3-carboxamide is sourced from PubChem (CID 70267962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).