N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide

C11H11BrN4O3S2 — CID 65210041

IUPACN-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H11BrN4O3S2/c1-2-8-10(20-16-15-8)11(17)14-9-4-3-6(5-7(9)12)21(13,18)19/h3-5H,2H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyYQLAOUMVTAFZHL-UHFFFAOYSA-N
MW391.27 g/mol
LogP1.76
Rot. Bonds4

About N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide

N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 65210041) has the molecular formula C11H11BrN4O3S2 and a molecular weight of 391.27 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID65210041
Molecular FormulaC11H11BrN4O3S2
Molecular Weight391.27 g/mol
Exact Mass389.95
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br
InChIInChI=1S/C11H11BrN4O3S2/c1-2-8-10(20-16-15-8)11(17)14-9-4-3-6(5-7(9)12)21(13,18)19/h3-5H,2H2,1H3,(H,14,17)(H2,13,18,19)
InChIKeyYQLAOUMVTAFZHL-UHFFFAOYSA-N
XLogP1.76
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide 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

4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
4-ethyl-N-(3-methyl-4-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 65209990
N-(2-chloro-4-iodophenyl)-4-ethylthiadiazole-5-carboxamide
CID 103614219
4-ethyl-N-[2-(methanesulfonamido)phenyl]thiadiazole-5-carboxamide
CID 25331555
N-(4-amino-2-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206339
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-4-ethylthiadiazole-5-carboxamide
CID 9192852
N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206158
N-(2-amino-5-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210588
N-(2-bromo-4-sulfamoylphenyl)-3-methoxythiophene-2-carboxamide
CID 81119012
2-amino-N-(2-bromo-4-sulfamoylphenyl)-2-methylbutanamide
CID 79797019

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide (CID 65210041) is N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(S(N)(=O)=O)cc1Br.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is YQLAOUMVTAFZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S2/c1-2-8-10(20-16-15-8)11(17)14-9-4-3-6(5-7(9)12)21(13,18)19/h3-5H,2H2,1H3,(H,14,17)(H2,13,18,19).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 65210041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).