2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide

C17H26ClN3O6S — CID 25390393

IUPAC2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H26ClN3O6S/c1-21(2)8-7-19-15(22)9-13-16(23)17(24)14(27-13)10-20-28(25,26)12-5-3-11(18)4-6-12/h3-6,13-14,16-17,20,23-24H,7-10H2,1-2H3,(H,19,22)/t13-,14+,16-,17+/m0/s1
InChIKeyKSKFONBKSXHAGY-HDEZJCGLSA-N
MW435.93 g/mol
LogP-0.82
Rot. Bonds9

About 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide

2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 25390393) has the molecular formula C17H26ClN3O6S and a molecular weight of 435.93 g/mol. Its IUPAC name is 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID25390393
Molecular FormulaC17H26ClN3O6S
Molecular Weight435.93 g/mol
Exact Mass435.12
IUPAC Name2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
SMILESCN(C)CCNC(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H26ClN3O6S/c1-21(2)8-7-19-15(22)9-13-16(23)17(24)14(27-13)10-20-28(25,26)12-5-3-11(18)4-6-12/h3-6,13-14,16-17,20,23-24H,7-10H2,1-2H3,(H,19,22)/t13-,14+,16-,17+/m0/s1
InChIKeyKSKFONBKSXHAGY-HDEZJCGLSA-N
XLogP-0.82
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 5-0.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide (CID 25390393) is 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide is CN(C)CCNC(=O)C[C@@H]1O[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)[C@@H](O)[C@H]1O.
What is the InChIKey of 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is KSKFONBKSXHAGY-HDEZJCGLSA-N. The full InChI is InChI=1S/C17H26ClN3O6S/c1-21(2)8-7-19-15(22)9-13-16(23)17(24)14(27-13)10-20-28(25,26)12-5-3-11(18)4-6-12/h3-6,13-14,16-17,20,23-24H,7-10H2,1-2H3,(H,19,22)/t13-,14+,16-,17+/m0/s1.
What are the key properties of 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide?
2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 435.93 g/mol, XLogP of -0.82, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R,4S,5R)-5-[[(4-chlorophenyl)sulfonylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 25390393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).