1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide

C17H20ClN3O4S — CID 100667104

IUPAC1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ocnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H20ClN3O4S/c1-12-16(20-11-25-12)10-19-17(22)13-6-8-21(9-7-13)26(23,24)15-4-2-14(18)3-5-15/h2-5,11,13H,6-10H2,1H3,(H,19,22)
InChIKeyKRKVLSWAAAZESM-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 100667104) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID100667104
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1ocnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H20ClN3O4S/c1-12-16(20-11-25-12)10-19-17(22)13-6-8-21(9-7-13)26(23,24)15-4-2-14(18)3-5-15/h2-5,11,13H,6-10H2,1H3,(H,19,22)
InChIKeyKRKVLSWAAAZESM-UHFFFAOYSA-N
XLogP2.35
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chlorobenzenesulfonyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine
CID 71837520
2-[1-(4-Chlorobenzenesulfonyl)piperidin-4-YL]-N,N,5-trimethyl-1,3-oxazole-4-carboxamide
CID 71837543
4-Chloro-3-methyl-N-{[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-YL]methyl}benzene-1-sulfonamide
CID 53195563
"3-chloro-4-fluoro-N-({5-methyl-4-[(4-methylpiperidino)carbonyl]-1,3-oxazol-2-yl}methyl)-1-benzenesulfonamide"
CID 53195572
"4-chloro-2-methyl-N-({5-methyl-4-[(4-methylpiperidino)carbonyl]-1,3-oxazol-2-yl}methyl)-1-benzenesulfonamide"
CID 53195562
2-chloro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 71906749
5-methyl-N-[1-(phenylsulfonyl)piperidin-4-yl]-1,3-oxazole-4-carboxamide
CID 77088289
4-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzenesulfonamide
CID 110671268
1-[(5-Methyl-1,3-oxazol-4-yl)methyl]-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]urea
CID 167841797

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide (CID 100667104) is 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide is Cc1ocnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KRKVLSWAAAZESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-12-16(20-11-25-12)10-19-17(22)13-6-8-21(9-7-13)26(23,24)15-4-2-14(18)3-5-15/h2-5,11,13H,6-10H2,1H3,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 397.88 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 100667104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).