N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

C19H23ClN4O5S — CID 54642675

IUPACN-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](CO)O1)c1cnccn1
InChIInChI=1S/C19H23ClN4O5S/c20-13-2-1-3-15(10-13)30(27,28)24-16-5-4-14(29-18(16)12-25)6-7-23-19(26)17-11-21-8-9-22-17/h1-3,8-11,14,16,18,24-25H,4-7,12H2,(H,23,26)/t14-,16+,18+/m0/s1
InChIKeyWWMPYXXHSSZZRZ-YXJHDRRASA-N
MW454.94 g/mol
LogP1.14
Rot. Bonds8

About N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide

N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 54642675) has the molecular formula C19H23ClN4O5S and a molecular weight of 454.94 g/mol. Its IUPAC name is N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
PubChem CID54642675
Molecular FormulaC19H23ClN4O5S
Molecular Weight454.94 g/mol
Exact Mass454.11
IUPAC NameN-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
SMILESO=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](CO)O1)c1cnccn1
InChIInChI=1S/C19H23ClN4O5S/c20-13-2-1-3-15(10-13)30(27,28)24-16-5-4-14(29-18(16)12-25)6-7-23-19(26)17-11-21-8-9-22-17/h1-3,8-11,14,16,18,24-25H,4-7,12H2,(H,23,26)/t14-,16+,18+/m0/s1
InChIKeyWWMPYXXHSSZZRZ-YXJHDRRASA-N
XLogP1.14
TPSA130.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.94
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide 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

N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(3-methylphenyl)sulfonylamino]oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54638596
N-[2-[(2R,5S,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]-3-fluorobenzenesulfonamide
CID 54641725
N-[(2S,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyridine-4-carboxamide
CID 54640975
N-[2-[(2R,5S,6R)-5-[(2-fluorobenzoyl)amino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54645303
N-[2-[(2S,5S,6S)-5-(cyclobutanecarbonylamino)-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54640588
N-[(2S,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640425
N-[(2R,3S,6S)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640111
N-[(2R,3R,6R)-6-[2-[(4-chlorophenyl)carbamoylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54640109
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(3-methoxyphenyl)sulfonylamino]oxan-2-yl]ethyl]-2-pyridin-4-ylacetamide
CID 54641700
N-[2-[(2S,5R,6S)-5-[(2,5-difluorophenyl)carbamoylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide
CID 54639527
N-[(2R,3S,6R)-6-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-2-(hydroxymethyl)oxan-3-yl]benzamide
CID 54643954
N-[(2R,3S,6S)-6-[2-(1,3-benzodioxole-5-carbonylamino)ethyl]-2-(hydroxymethyl)oxan-3-yl]pyrazine-2-carboxamide
CID 54645338

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide (CID 54642675) is N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide is O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)[C@@H](CO)O1)c1cnccn1.
What is the InChIKey of N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is WWMPYXXHSSZZRZ-YXJHDRRASA-N. The full InChI is InChI=1S/C19H23ClN4O5S/c20-13-2-1-3-15(10-13)30(27,28)24-16-5-4-14(29-18(16)12-25)6-7-23-19(26)17-11-21-8-9-22-17/h1-3,8-11,14,16,18,24-25H,4-7,12H2,(H,23,26)/t14-,16+,18+/m0/s1.
What are the key properties of N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide?
N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 454.94 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S,5R,6S)-5-[(3-chlorophenyl)sulfonylamino]-6-(hydroxymethyl)oxan-2-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 54642675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).