N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide

C19H17ClN4O3S2 — CID 25049181

IUPACN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H17ClN4O3S2/c1-13(28-15-5-3-2-4-6-15)19(25)21-14-7-9-16(10-8-14)29(26,27)24-18-12-11-17(20)22-23-18/h2-13H,1H3,(H,21,25)(H,23,24)
InChIKeyYRFJNSWHAJQNDC-UHFFFAOYSA-N
MW448.96 g/mol
LogP4.05
Rot. Bonds7

About N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide

N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide (PubChem CID 25049181) has the molecular formula C19H17ClN4O3S2 and a molecular weight of 448.96 g/mol. Its IUPAC name is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
PubChem CID25049181
Molecular FormulaC19H17ClN4O3S2
Molecular Weight448.96 g/mol
Exact Mass448.04
IUPAC NameN-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
SMILESCC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1
InChIInChI=1S/C19H17ClN4O3S2/c1-13(28-15-5-3-2-4-6-15)19(25)21-14-7-9-16(10-8-14)29(26,27)24-18-12-11-17(20)22-23-18/h2-13H,1H3,(H,21,25)(H,23,24)
InChIKeyYRFJNSWHAJQNDC-UHFFFAOYSA-N
XLogP4.05
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.96
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide 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

(2R)-2-phenylsulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 92674258
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]propanamide
CID 25037068
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide
CID 132673976
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-pyrimidin-2-ylsulfanylbutanamide
CID 25049208
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-(1-phenyltetrazol-5-yl)sulfanylbutanamide
CID 25045845
2-(4-chlorophenyl)sulfanyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25034798
N-phenyl-2-phenylsulfanylpropanamide
CID 2889315
2-(4-chlorophenyl)sulfanyl-N-[4-(pyridin-3-ylsulfamoyl)phenyl]propanamide
CID 43908489
(2R)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 28565199
(2S)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 126184839
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 21167345

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
The IUPAC name of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide (CID 25049181) is N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide.
What is the SMILES notation for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
The canonical SMILES for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide is CC(Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1.
What is the InChIKey of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
The InChIKey is YRFJNSWHAJQNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3S2/c1-13(28-15-5-3-2-4-6-15)19(25)21-14-7-9-16(10-8-14)29(26,27)24-18-12-11-17(20)22-23-18/h2-13H,1H3,(H,21,25)(H,23,24).
What are the key properties of N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide?
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide has a molecular weight of 448.96 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-2-phenylsulfanylpropanamide is sourced from PubChem (CID 25049181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).