2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane

C96H113Cl5N22O20S8 — CID 158387000

IUPAC2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane
SMILESC.C.CC(=O)NCC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.CC(=O)NCC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.CC(=O)NCCC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1cccnc1)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1cccnc1)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.S.S.S
InChIInChI=1S/2C21H20ClN5O4S.C18H21ClN4O4S.2C17H19ClN4O4S.2CH4.3H2S/c2*22-17-11-24-9-14-3-1-5-18(20(14)17)32(30,31)27-8-6-16(13-27)26-19(28)12-25-21(29)15-4-2-7-23-10-15;1-12(24)21-7-5-17(25)22-14-6-8-23(11-14)28(26,27)16-4-2-3-13-9-20-10-15(19)18(13)16;2*1-11(23)20-9-16(24)21-13-5-6-22(10-13)27(25,26)15-4-2-3-12-7-19-8-14(18)17(12)15;;;;;/h2*1-5,7,9-11,16H,6,8,12-13H2,(H,25,29)(H,26,28);2-4,9-10,14H,5-8,11H2,1H3,(H,21,24)(H,22,25);2*2-4,7-8,13H,5-6,9-10H2,1H3,(H,20,23)(H,21,24);2*1H4;3*1H2/t2*16-;14-;2*13-;;;;;/m10010...../s1
InChIKeyGWMHNFMAJGNYFS-SQBFFPMCSA-N
MW2328.89 g/mol
LogP7.90
Rot. Bonds28

About 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane

2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane (PubChem CID 158387000) has the molecular formula C96H113Cl5N22O20S8 and a molecular weight of 2328.89 g/mol. Its IUPAC name is 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane.

Molecular Properties

Compound Name2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane
PubChem CID158387000
Molecular FormulaC96H113Cl5N22O20S8
Molecular Weight2328.89 g/mol
Exact Mass2324.47
IUPAC Name2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane
SMILESC.C.CC(=O)NCC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.CC(=O)NCC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.CC(=O)NCCC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1cccnc1)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1cccnc1)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.S.S.S
InChIInChI=1S/2C21H20ClN5O4S.C18H21ClN4O4S.2C17H19ClN4O4S.2CH4.3H2S/c2*22-17-11-24-9-14-3-1-5-18(20(14)17)32(30,31)27-8-6-16(13-27)26-19(28)12-25-21(29)15-4-2-7-23-10-15;1-12(24)21-7-5-17(25)22-14-6-8-23(11-14)28(26,27)16-4-2-3-13-9-20-10-15(19)18(13)16;2*1-11(23)20-9-16(24)21-13-5-6-22(10-13)27(25,26)15-4-2-3-12-7-19-8-14(18)17(12)15;;;;;/h2*1-5,7,9-11,16H,6,8,12-13H2,(H,25,29)(H,26,28);2-4,9-10,14H,5-8,11H2,1H3,(H,21,24)(H,22,25);2*2-4,7-8,13H,5-6,9-10H2,1H3,(H,20,23)(H,21,24);2*1H4;3*1H2/t2*16-;14-;2*13-;;;;;/m10010...../s1
InChIKeyGWMHNFMAJGNYFS-SQBFFPMCSA-N
XLogP7.90
TPSA568.13 Ų
H-Bond Donors10
H-Bond Acceptors27
Rotatable Bonds28
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002328.89
LogP ≤ 57.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1027

Analyze 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane with MolForge

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Related Compounds

2-(azetidin-1-yl)-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-(dimethylamino)-N-[(3S)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;N-[(3R)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxyacetamide;N-[(3S)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxyacetamide;N-[(3R)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxy-N-methylacetamide;N-[(3S)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxy-N-methylacetamide;methane;sulfane
CID 157074592
N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)acetamide;2-(dimethylamino)-N-[(3R)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-(dimethylamino)-N-[(3R)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylacetamide;2-(dimethylamino)-N-[(3S)-1-(4-fluoroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-N-methylacetamide;methane;sulfane
CID 157678914
N-[1-(3-chlorophenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;bis(N-[1-(3,4-dimethylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide);N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide;N-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 158278731
N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-(dimethylamino)propanamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-(dimethylamino)propanamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-methoxypropanamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-methylsulfanylpropanamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-methylsulfanylpropanamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-piperidin-1-ylpropanamide;methane;sulfane
CID 158791662
2-amino-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-amino-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(dimethylamino)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(dimethylamino)acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxyacetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxyacetamide;methane;sulfane
CID 159398165
2-(azetidin-1-yl)-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-[bis(2-hydroxyethyl)amino]-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-[bis(2-hydroxyethyl)amino]-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[2-(dimethylamino)ethyl-methylamino]acetamide;methane;sulfane
CID 159675537
N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(dimethylamino)-N-methylacetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(dimethylamino)-N-methylacetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxy-N-methylacetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methoxy-N-methylacetamide;N-[(3R)-1-[(4-chloro-1-oxo-2H-isoquinolin-5-yl)sulfonyl]pyrrolidin-3-yl]-2-methoxyacetamide;N-[(3S)-1-[(4-chloro-1-oxo-2H-isoquinolin-5-yl)sulfonyl]pyrrolidin-3-yl]-2-methoxyacetamide;methane;sulfane
CID 159743783
N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-piperazin-1-ylpropanamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-3-piperazin-1-ylpropanamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(tetrazol-2-yl)acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(1,2,4-triazol-1-yl)acetamide;methane;sulfane
CID 160373242
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
3-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-methoxyethoxy)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-(2-methoxyethoxy)acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide;methane;sulfane
CID 160539391
N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-cyanoacetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-piperazin-1-ylacetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-piperazin-1-ylacetamide;methane;sulfane
CID 161096734
2-aminooxy-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-aminooxy-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-[2-(2-methoxyethoxy)ethoxy]acetamide;N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methylsulfonylacetamide;N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]-2-methylsulfonylacetamide;methane;sulfane
CID 161407237

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane?
The IUPAC name of 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane (CID 158387000) is 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane.
What is the SMILES notation for 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane?
The canonical SMILES for 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane is C.C.CC(=O)NCC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.CC(=O)NCC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.CC(=O)NCCC(=O)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1cccnc1)N[C@@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.O=C(CNC(=O)c1cccnc1)N[C@H]1CCN(S(=O)(=O)c2cccc3cncc(Cl)c23)C1.S.S.S.
What is the InChIKey of 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane?
The InChIKey is GWMHNFMAJGNYFS-SQBFFPMCSA-N. The full InChI is InChI=1S/2C21H20ClN5O4S.C18H21ClN4O4S.2C17H19ClN4O4S.2CH4.3H2S/c2*22-17-11-24-9-14-3-1-5-18(20(14)17)32(30,31)27-8-6-16(13-27)26-19(28)12-25-21(29)15-4-2-7-23-10-15;1-12(24)21-7-5-17(25)22-14-6-8-23(11-14)28(26,27)16-4-2-3-13-9-20-10-15(19)18(13)16;2*1-11(23)20-9-16(24)21-13-5-6-22(10-13)27(25,26)15-4-2-3-12-7-19-8-14(18)17(12)15;;;;;/h2*1-5,7,9-11,16H,6,8,12-13H2,(H,25,29)(H,26,28);2-4,9-10,14H,5-8,11H2,1H3,(H,21,24)(H,22,25);2*2-4,7-8,13H,5-6,9-10H2,1H3,(H,20,23)(H,21,24);2*1H4;3*1H2/t2*16-;14-;2*13-;;;;;/m10010...../s1.
What are the key properties of 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane?
2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane has a molecular weight of 2328.89 g/mol, XLogP of 7.90, 28 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;2-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]acetamide;3-acetamido-N-[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]propanamide;N-[2-[[(3R)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;N-[2-[[(3S)-1-(4-chloroisoquinolin-5-yl)sulfonylpyrrolidin-3-yl]amino]-2-oxoethyl]pyridine-3-carboxamide;methane;sulfane is sourced from PubChem (CID 158387000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).