4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride

C12H12ClN3O3S2 — CID 65199256

IUPAC4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
SMILESCc1nnsc1C(=O)NCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H12ClN3O3S2/c1-8-11(20-16-15-8)12(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyLHZVLPHYKVSMKG-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.75
Rot. Bonds5

About 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride

4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride (PubChem CID 65199256) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
PubChem CID65199256
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride
SMILESCc1nnsc1C(=O)NCCc1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C12H12ClN3O3S2/c1-8-11(20-16-15-8)12(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17)
InChIKeyLHZVLPHYKVSMKG-UHFFFAOYSA-N
XLogP1.75
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
N-[2-(3,4-dimethylphenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 51585981
N-[2-(3-fluorophenyl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 9182267
4-[2-(2-ethylbutanoylamino)ethyl]benzenesulfonyl chloride
CID 43133869
3-bromo-4-[(4-methylthiadiazole-5-carbonyl)amino]benzenesulfonyl chloride
CID 65199616
N-[(3,4-dichlorophenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 70605698
4-[2-[(2-chlorobenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154116463
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-ethyl-4-methylthiadiazole-5-carboxamide
CID 60660728
4-methyl-N-[3-(methylamino)propyl]thiadiazole-5-carboxamide
CID 43600601
4-[2-(1H-pyrazole-5-carbonylamino)ethyl]benzenesulfonyl chloride
CID 63084257
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]thiadiazole-5-carboxamide
CID 90537705

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride (CID 65199256) is 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride is Cc1nnsc1C(=O)NCCc1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride?
The InChIKey is LHZVLPHYKVSMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-8-11(20-16-15-8)12(17)14-7-6-9-2-4-10(5-3-9)21(13,18)19/h2-5H,6-7H2,1H3,(H,14,17).
What are the key properties of 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride?
4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride has a molecular weight of 345.83 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]benzenesulfonyl chloride is sourced from PubChem (CID 65199256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).