N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

C10H8Cl2N4O3S2 — CID 110300325

IUPACN-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H8Cl2N4O3S2/c1-5(17)13-9-14-15-10(20-9)21(18,19)16-8-6(11)3-2-4-7(8)12/h2-4,16H,1H3,(H,13,14,17)
InChIKeyTZSRAQMOJUZBKQ-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.60
Rot. Bonds4

About N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide

N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 110300325) has the molecular formula C10H8Cl2N4O3S2 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID110300325
Molecular FormulaC10H8Cl2N4O3S2
Molecular Weight367.24 g/mol
Exact Mass365.94
IUPAC NameN-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C10H8Cl2N4O3S2/c1-5(17)13-9-14-15-10(20-9)21(18,19)16-8-6(11)3-2-4-7(8)12/h2-4,16H,1H3,(H,13,14,17)
InChIKeyTZSRAQMOJUZBKQ-UHFFFAOYSA-N
XLogP2.60
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.60
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-[(4-chloro-2-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 104821754
2-chloro-N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100513021
2-chloro-N-[5-[(3-chlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 100761553
N-[5-(1H-indol-4-ylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110730988
N-[5-[(1-chloro-2-methylpropan-2-yl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 113383322
N-[5-[(3-morpholin-4-ylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110362427
N-[5-[(2,6-dimethylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100735030
N-[5-[(4-morpholin-4-ylsulfonylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100663694
N-[5-[[3-(4-tert-butylbenzoyl)phenyl]sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 100577496
N-[5-(thiophen-2-ylmethylsulfamoyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 110779516
N-[5-[(2,6-difluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 100558951
N-[5-[(6-phenyl-3-pyridinyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110634809

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide (CID 110300325) is N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(S(=O)(=O)Nc2c(Cl)cccc2Cl)s1.
What is the InChIKey of N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is TZSRAQMOJUZBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O3S2/c1-5(17)13-9-14-15-10(20-9)21(18,19)16-8-6(11)3-2-4-7(8)12/h2-4,16H,1H3,(H,13,14,17).
What are the key properties of N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 367.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,6-dichlorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 110300325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).