1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide

C21H20ClN3O4S — CID 166628606

IUPAC1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncco2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-18-3-1-2-4-19(18)30(27,28)25-12-9-15(10-13-25)20(26)24-17-7-5-16(6-8-17)21-23-11-14-29-21/h1-8,11,14-15H,9-10,12-13H2,(H,24,26)
InChIKeyRUVBHTKYXOTZGB-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.03
Rot. Bonds5

About 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide

1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 166628606) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID166628606
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ncco2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C21H20ClN3O4S/c22-18-3-1-2-4-19(18)30(27,28)25-12-9-15(10-13-25)20(26)24-17-7-5-16(6-8-17)21-23-11-14-29-21/h1-8,11,14-15H,9-10,12-13H2,(H,24,26)
InChIKeyRUVBHTKYXOTZGB-UHFFFAOYSA-N
XLogP4.03
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 3844414
N-[4-chloro-2-(pyridine-4-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
CID 59788609
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(1,3-oxazol-2-yl)benzenesulfonamide
CID 59788725
Benzenesulfonamide, 4-(2-oxazolyl)-N-[4-(trifluoromethyl)phenyl]-
CID 10429089
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3,5-difluoropyridine-4-sulfonamide
CID 24831102
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,3-difluorobenzenesulfonamide
CID 24831103
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,4-difluorobenzenesulfonamide
CID 24831104
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-2,5-difluorobenzenesulfonamide
CID 24831105
N-[4-[2-chloro-5-(1,3-oxazol-2-yl)phenyl]phenyl]-3-fluoropyridine-4-sulfonamide
CID 58992426
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16595984
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16595985
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 24608355

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide (CID 166628606) is 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-c2ncco2)cc1)C1CCN(S(=O)(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is RUVBHTKYXOTZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c22-18-3-1-2-4-19(18)30(27,28)25-12-9-15(10-13-25)20(26)24-17-7-5-16(6-8-17)21-23-11-14-29-21/h1-8,11,14-15H,9-10,12-13H2,(H,24,26).
What are the key properties of 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide?
1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 445.93 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-N-[4-(1,3-oxazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 166628606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).