N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide

C16H12BrFN4O3S2 — CID 35177209

IUPACN-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrFN4O3S2/c1-9-15(26-22-20-9)16(23)19-13-7-4-11(18)8-14(13)27(24,25)21-12-5-2-10(17)3-6-12/h2-8,21H,1H3,(H,19,23)
InChIKeyBQSGRFHYGDVKPB-UHFFFAOYSA-N
MW471.33 g/mol
LogP3.80
Rot. Bonds5

About N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide

N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 35177209) has the molecular formula C16H12BrFN4O3S2 and a molecular weight of 471.33 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
PubChem CID35177209
Molecular FormulaC16H12BrFN4O3S2
Molecular Weight471.33 g/mol
Exact Mass469.95
IUPAC NameN-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrFN4O3S2/c1-9-15(26-22-20-9)16(23)19-13-7-4-11(18)8-14(13)27(24,25)21-12-5-2-10(17)3-6-12/h2-8,21H,1H3,(H,19,23)
InChIKeyBQSGRFHYGDVKPB-UHFFFAOYSA-N
XLogP3.80
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.33
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-2,2-dimethylpropanamide
CID 35569747
N-(2-bromo-5-fluorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579445
4-bromo-2-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54933005
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
N-[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide
CID 60812729
N-(2,6-difluoro-3-pyridinyl)-4-methylthiadiazole-5-carboxamide
CID 103098047
N-(4-chloro-2-iodophenyl)-4-methylthiadiazole-5-carboxamide
CID 103579448
2-fluoro-5-[(4-methylthiadiazole-5-carbonyl)amino]benzoic acid
CID 54926713
N-(4-bromophenyl)-2-[(4-fluorophenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944549
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
N-(4-amino-2,5-dimethylphenyl)-4-methylthiadiazole-5-carboxamide
CID 103144442
N-(2-bromo-3-chlorophenyl)-4-methylthiadiazole-5-carboxamide
CID 103479705

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide (CID 35177209) is N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide is Cc1nnsc1C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is BQSGRFHYGDVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O3S2/c1-9-15(26-22-20-9)16(23)19-13-7-4-11(18)8-14(13)27(24,25)21-12-5-2-10(17)3-6-12/h2-8,21H,1H3,(H,19,23).
What are the key properties of N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide?
N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 471.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)sulfamoyl]-4-fluorophenyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 35177209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).