4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride

C9H6ClN3O3S2 — CID 65216096

IUPAC4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cnns1
InChIInChI=1S/C9H6ClN3O3S2/c10-18(15,16)7-3-1-6(2-4-7)12-9(14)8-5-11-13-17-8/h1-5H,(H,12,14)
InChIKeyIUQYDUIAAGOZKN-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.72
Rot. Bonds3

About 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride

4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 65216096) has the molecular formula C9H6ClN3O3S2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
PubChem CID65216096
Molecular FormulaC9H6ClN3O3S2
Molecular Weight303.75 g/mol
Exact Mass302.95
IUPAC Name4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
SMILESO=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cnns1
InChIInChI=1S/C9H6ClN3O3S2/c10-18(15,16)7-3-1-6(2-4-7)12-9(14)8-5-11-13-17-8/h1-5H,(H,12,14)
InChIKeyIUQYDUIAAGOZKN-UHFFFAOYSA-N
XLogP1.72
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride 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

2-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216260
3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
N-(4-acetylphenyl)thiadiazole-5-carboxamide
CID 47259424
4-(thiophene-2-carbonylamino)benzenesulfonyl chloride
CID 15384313
3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216262
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
N-(3-hydroxyphenyl)thiadiazole-5-carboxamide
CID 65215150
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]thiadiazole-5-carboxamide
CID 77060431
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
[4-(4-chlorosulfonylphenyl)phenyl]carbamic acid
CID 87188677
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302

Frequently Asked Questions

What is the IUPAC name of 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride (CID 65216096) is 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride is O=C(Nc1ccc(S(=O)(=O)Cl)cc1)c1cnns1.
What is the InChIKey of 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is IUQYDUIAAGOZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3S2/c10-18(15,16)7-3-1-6(2-4-7)12-9(14)8-5-11-13-17-8/h1-5H,(H,12,14).
What are the key properties of 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 303.75 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 65216096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).