N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide

C20H24ClN3O5S — CID 54640975

IUPACN-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO)c1ccncc1
InChIInChI=1S/C20H24ClN3O5S/c21-15-2-1-3-17(12-15)30(27,28)23-11-8-16-4-5-18(19(13-25)29-16)24-20(26)14-6-9-22-10-7-14/h1-3,6-7,9-10,12,16,18-19,23,25H,4-5,8,11,13H2,(H,24,26)/t16-,18+,19-/m1/s1
InChIKeyZGRBCZVMEMXSST-NZSAHSFTSA-N
MW453.95 g/mol
LogP1.74
Rot. Bonds8

About N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide

N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide (PubChem CID 54640975) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
PubChem CID54640975
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC NameN-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO)c1ccncc1
InChIInChI=1S/C20H24ClN3O5S/c21-15-2-1-3-17(12-15)30(27,28)23-11-8-16-4-5-18(19(13-25)29-16)24-20(26)14-6-9-22-10-7-14/h1-3,6-7,9-10,12,16,18-19,23,25H,4-5,8,11,13H2,(H,24,26)/t16-,18+,19-/m1/s1
InChIKeyZGRBCZVMEMXSST-NZSAHSFTSA-N
XLogP1.74
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzamide
CID 54643954
1-[(2S,3R,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(3-fluorophenyl)urea
CID 54638549
N-[2-[(2R,5S,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-fluorobenzenesulfonamide
CID 54641725
N-[(2S,3R,6S)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54638907
N-[(2R,3S,6R)-6-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-2-carboxamide
CID 54638908
N-[(2R,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzamide
CID 54644456
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 54643969
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[(4-methylphenyl)sulfonylamino]ethyl]oxan-3-yl]pyridine-3-carboxamide
CID 54643974
N-[(2R,3R,6R)-6-[2-[(4-fluorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-3-carboxamide
CID 54644034
N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54642675
N-[(2R,3R,6S)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639931
N-[(2S,3R,6R)-6-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]-4-fluorobenzamide
CID 54639928

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide (CID 54640975) is N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide is O=C(N[C@H]1CC[C@H](CCNS(=O)(=O)c2cccc(Cl)c2)O[C@@H]1CO)c1ccncc1.
What is the InChIKey of N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide?
The InChIKey is ZGRBCZVMEMXSST-NZSAHSFTSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c21-15-2-1-3-17(12-15)30(27,28)23-11-8-16-4-5-18(19(13-25)29-16)24-20(26)14-6-9-22-10-7-14/h1-3,6-7,9-10,12,16,18-19,23,25H,4-5,8,11,13H2,(H,24,26)/t16-,18+,19-/m1/s1.
What are the key properties of N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide?
N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide has a molecular weight of 453.95 g/mol, XLogP of 1.74, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 54640975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).