N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide

C12H12Cl2N4O3S2 — CID 100568826

IUPACN-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H12Cl2N4O3S2/c1-2-10(19)16-11-17-18-12(22-11)23(20,21)15-6-7-3-4-8(13)5-9(7)14/h3-5,15H,2,6H2,1H3,(H,16,17,19)
InChIKeyRUUQECHEOMGPPQ-UHFFFAOYSA-N
MW395.29 g/mol
LogP2.67
Rot. Bonds6

About N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide

N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 100568826) has the molecular formula C12H12Cl2N4O3S2 and a molecular weight of 395.29 g/mol. Its IUPAC name is N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID100568826
Molecular FormulaC12H12Cl2N4O3S2
Molecular Weight395.29 g/mol
Exact Mass393.97
IUPAC NameN-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C12H12Cl2N4O3S2/c1-2-10(19)16-11-17-18-12(22-11)23(20,21)15-6-7-3-4-8(13)5-9(7)14/h3-5,15H,2,6H2,1H3,(H,16,17,19)
InChIKeyRUUQECHEOMGPPQ-UHFFFAOYSA-N
XLogP2.67
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 100524820
2,4-dichloro-N-[5-[(2,5-diethylphenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100612471
N-[5-(ethylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100748256
N-[5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100515290
N-[5-[(2,6-difluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100558951
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide
CID 157016593
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24628780
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100735030
N-[5-(butan-2-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]-2,4-dichlorobenzamide
CID 133199546
N-[5-(3-naphthalen-1-ylpropylsulfamoyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 100760488
ethyl N-[4-[(2,4-dichlorophenyl)methylsulfamoyl]phenyl]carbamate
CID 4665186
N-[5-[2-[(4-methylphenyl)methylsulfanyl]ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100595328

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide (CID 100568826) is N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is RUUQECHEOMGPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O3S2/c1-2-10(19)16-11-17-18-12(22-11)23(20,21)15-6-7-3-4-8(13)5-9(7)14/h3-5,15H,2,6H2,1H3,(H,16,17,19).
What are the key properties of N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide?
N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 395.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dichlorophenyl)methylsulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 100568826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).