(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide

C23H22Cl2N4O4S — CID 162727579

IUPAC(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C23H22Cl2N4O4S/c1-13-8-9-16(27-22(30)14(2)29-23(31)21(25)18(24)12-26-29)10-20(13)34(32,33)28-19-11-17(19)15-6-4-3-5-7-15/h3-10,12,14,17,19,28H,11H2,1-2H3,(H,27,30)/t14-,17-,19+/m0/s1
InChIKeyXIHHFOWGUYZEIL-UCLAIMLFSA-N
MW521.43 g/mol
LogP3.89
Rot. Bonds7

About (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide

(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide (PubChem CID 162727579) has the molecular formula C23H22Cl2N4O4S and a molecular weight of 521.43 g/mol. Its IUPAC name is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide
PubChem CID162727579
Molecular FormulaC23H22Cl2N4O4S
Molecular Weight521.43 g/mol
Exact Mass520.07
IUPAC Name(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide
SMILESCc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C23H22Cl2N4O4S/c1-13-8-9-16(27-22(30)14(2)29-23(31)21(25)18(24)12-26-29)10-20(13)34(32,33)28-19-11-17(19)15-6-4-3-5-7-15/h3-10,12,14,17,19,28H,11H2,1-2H3,(H,27,30)/t14-,17-,19+/m0/s1
InChIKeyXIHHFOWGUYZEIL-UCLAIMLFSA-N
XLogP3.89
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.43
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[(2-phenylcyclopropyl)sulfamoyl]phenyl]propanamide
CID 162727207
(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[(2-phenylcyclopropyl)sulfamoyl]phenyl]propanamide
CID 162727901
(2R)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide
CID 162727290
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[2-(4-sulfamoylphenyl)ethylsulfamoyl]phenyl]propanamide
CID 162727116
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-ethyl-3-(2-pyridin-2-ylethylsulfamoyl)phenyl]propanamide
CID 162727151
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9492234
(2R)-2-(5-chloro-6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-(3-methylphenyl)propanamide
CID 95706061
2-methyl-5-(4-methylphenyl)sulfonyl-N-[(1S,2R)-2-phenylcyclopropyl]benzenesulfonamide
CID 57462877
(2S)-2-(4-chloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(2R)-1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl]sulfamoyl]phenyl]propanamide
CID 162727987
3-[1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid
CID 16539249
2-(4-chloro-5-methylpyrazol-1-yl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 19533592
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 92627242

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide (CID 162727579) is (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide is Cc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide?
The InChIKey is XIHHFOWGUYZEIL-UCLAIMLFSA-N. The full InChI is InChI=1S/C23H22Cl2N4O4S/c1-13-8-9-16(27-22(30)14(2)29-23(31)21(25)18(24)12-26-29)10-20(13)34(32,33)28-19-11-17(19)15-6-4-3-5-7-15/h3-10,12,14,17,19,28H,11H2,1-2H3,(H,27,30)/t14-,17-,19+/m0/s1.
What are the key properties of (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide?
(2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide has a molecular weight of 521.43 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-methyl-3-[[(1R,2S)-2-phenylcyclopropyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 162727579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).