(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone

C18H24ClN3O3S — CID 119686577

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O3S/c19-14-3-1-2-4-15(14)26(24,25)22-9-7-21(8-10-22)18(23)16-12-5-6-13(11-12)17(16)20/h1-4,12-13,16-17H,5-11,20H2
InChIKeyOZXBYVYJZMBUHD-UHFFFAOYSA-N
MW397.93 g/mol
LogP1.55
Rot. Bonds3

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 119686577) has the molecular formula C18H24ClN3O3S and a molecular weight of 397.93 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID119686577
Molecular FormulaC18H24ClN3O3S
Molecular Weight397.93 g/mol
Exact Mass397.12
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
SMILESNC1C2CCC(C2)C1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C18H24ClN3O3S/c19-14-3-1-2-4-15(14)26(24,25)22-9-7-21(8-10-22)18(23)16-12-5-6-13(11-12)17(16)20/h1-4,12-13,16-17H,5-11,20H2
InChIKeyOZXBYVYJZMBUHD-UHFFFAOYSA-N
XLogP1.55
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.93
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]-cyclobutylmethanone
CID 110799419
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 51151012
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-phenylpiperazin-1-yl)methanone;dihydrochloride
CID 119826840
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(1-propylpiperidin-2-yl)methanone
CID 55986053
5-[4-(2-chlorophenyl)sulfonyl-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808945
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(4-hydroxybenzoyl)piperazin-1-yl]methanone
CID 119730632
(2R)-2-amino-1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119269678
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-pyridin-4-ylmethanone
CID 26757131
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(6-chloro-3-pyridinyl)methanone
CID 26757204
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119827954
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 119844358

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone (CID 119686577) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone is NC1C2CCC(C2)C1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is OZXBYVYJZMBUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3S/c19-14-3-1-2-4-15(14)26(24,25)22-9-7-21(8-10-22)18(23)16-12-5-6-13(11-12)17(16)20/h1-4,12-13,16-17H,5-11,20H2.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 397.93 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 119686577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).