3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

C21H22ClN3O3S — CID 24881193

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C21H22ClN3O3S/c22-18-3-1-17-12-19(4-2-16(17)11-18)29(27,28)10-7-21(26)25-8-5-15(6-9-25)20-13-23-14-24-20/h1-4,11-15H,5-10H2,(H,23,24)
InChIKeyBUGHSNCZMAOYPW-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.79
Rot. Bonds5

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 24881193) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID24881193
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc[nH]2)CC1
InChIInChI=1S/C21H22ClN3O3S/c22-18-3-1-17-12-19(4-2-16(17)11-18)29(27,28)10-7-21(26)25-8-5-15(6-9-25)20-13-23-14-24-20/h1-4,11-15H,5-10H2,(H,23,24)
InChIKeyBUGHSNCZMAOYPW-UHFFFAOYSA-N
XLogP3.79
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl)piperidin-4-yl)-5-methyl-1H-imidazo[1,5-c]imidazol-3(2H)-one
CID 9935746
1-{3-[(6-Chloro-2-naphthyl)sulfonyl]propanoyl}-4-(1-methyl-1H-imidazol-5-yl)piperidine
CID 24881194
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
CID 24881255
1-(4-(H-imidazo[1,2-a]pyridin-3-yl)piperidin-1-yl)-3-(6-chloronaphthalen-2-ylsulfonyl)propan-1-one
CID 24882178
3-(1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}piperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 24882254
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-(2-methyl-1H-imidazol-4-yl)piperidine
CID 24882255
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-(1,2-dimethyl-1H-imidazol-5-yl)piperidine
CID 24882256
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-[(2-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 24881188
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-[3-(2-methyl-1H-imidazol-1-yl)propyl]piperidine
CID 24881190
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperazine
CID 24881191
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-(2-ethyl-1H-imidazol-1-yl)piperidine
CID 24881251
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-(1-methyl-1H-imidazol-2-yl)piperidine
CID 24881253

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one (CID 24881193) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one is O=C(CCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(c2cnc[nH]2)CC1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is BUGHSNCZMAOYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c22-18-3-1-17-12-19(4-2-16(17)11-18)29(27,28)10-7-21(26)25-8-5-15(6-9-25)20-13-23-14-24-20/h1-4,11-15H,5-10H2,(H,23,24).
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 431.95 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1H-imidazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 24881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).