N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane

C82H92Cl4N16O18S6 — CID 160520503

IUPACN-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane
SMILESC.C.O=C(CN1CCOC1=O)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CN1CCOC1=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.S.S
InChIInChI=1S/2C22H21ClN4O4S.2C18H19ClN4O5S.2CH4.2H2S/c2*23-18-12-24-11-16-7-4-8-19(21(16)18)32(30,31)27-10-9-17(14-27)26-20(28)13-25-22(29)15-5-2-1-3-6-15;2*19-14-9-20-8-12-2-1-3-15(17(12)14)29(26,27)23-5-4-13(10-23)21-16(24)11-22-6-7-28-18(22)25;;;;/h2*1-8,11-12,17H,9-10,13-14H2,(H,25,29)(H,26,28);2*1-3,8-9,13H,4-7,10-11H2,(H,21,24);2*1H4;2*1H2/t2*17-;2*13-;;;;/m1010..../s1
InChIKeyQUFBGLXIQWVXHR-JFBXNPGKSA-N
MW1923.95 g/mol
LogP8.33
Rot. Bonds22

About N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane

N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane (PubChem CID 160520503) has the molecular formula C82H92Cl4N16O18S6 and a molecular weight of 1923.95 g/mol. Its IUPAC name is N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane.

Molecular Properties

Compound NameN-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane
PubChem CID160520503
Molecular FormulaC82H92Cl4N16O18S6
Molecular Weight1923.95 g/mol
Exact Mass1920.39
IUPAC NameN-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane
SMILESC.C.O=C(CN1CCOC1=O)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CN1CCOC1=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.S.S
InChIInChI=1S/2C22H21ClN4O4S.2C18H19ClN4O5S.2CH4.2H2S/c2*23-18-12-24-11-16-7-4-8-19(21(16)18)32(30,31)27-10-9-17(14-27)26-20(28)13-25-22(29)15-5-2-1-3-6-15;2*19-14-9-20-8-12-2-1-3-15(17(12)14)29(26,27)23-5-4-13(10-23)21-16(24)11-22-6-7-28-18(22)25;;;;/h2*1-8,11-12,17H,9-10,13-14H2,(H,25,29)(H,26,28);2*1-3,8-9,13H,4-7,10-11H2,(H,21,24);2*1H4;2*1H2/t2*17-;2*13-;;;;/m1010..../s1
InChIKeyQUFBGLXIQWVXHR-JFBXNPGKSA-N
XLogP8.33
TPSA434.76 Ų
H-Bond Donors6
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001923.95
LogP ≤ 58.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1022

Analyze N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane?
The IUPAC name of N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane (CID 160520503) is N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane.
What is the SMILES notation for N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane?
The canonical SMILES for N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane is C.C.O=C(CN1CCOC1=O)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CN1CCOC1=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1ccccc1)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1ccccc1)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.S.S.
What is the InChIKey of N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane?
The InChIKey is QUFBGLXIQWVXHR-JFBXNPGKSA-N. The full InChI is InChI=1S/2C22H21ClN4O4S.2C18H19ClN4O5S.2CH4.2H2S/c2*23-18-12-24-11-16-7-4-8-19(21(16)18)32(30,31)27-10-9-17(14-27)26-20(28)13-25-22(29)15-5-2-1-3-6-15;2*19-14-9-20-8-12-2-1-3-15(17(12)14)29(26,27)23-5-4-13(10-23)21-16(24)11-22-6-7-28-18(22)25;;;;/h2*1-8,11-12,17H,9-10,13-14H2,(H,25,29)(H,26,28);2*1-3,8-9,13H,4-7,10-11H2,(H,21,24);2*1H4;2*1H2/t2*17-;2*13-;;;;/m1010..../s1.
What are the key properties of N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane?
N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane has a molecular weight of 1923.95 g/mol, XLogP of 8.33, 22 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]benzamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide;methane;sulfane is sourced from PubChem (CID 160520503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).