3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride

C12H12ClN3O3S2 — CID 65216262

IUPAC3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)c1cnns1
InChIInChI=1S/C12H12ClN3O3S2/c1-3-8-5-9(21(13,18)19)4-7(2)11(8)15-12(17)10-6-14-16-20-10/h4-6H,3H2,1-2H3,(H,15,17)
InChIKeyMTHCJNUOKMSGEM-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.59
Rot. Bonds4

About 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride

3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride (PubChem CID 65216262) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
PubChem CID65216262
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
SMILESCCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)c1cnns1
InChIInChI=1S/C12H12ClN3O3S2/c1-3-8-5-9(21(13,18)19)4-7(2)11(8)15-12(17)10-6-14-16-20-10/h4-6H,3H2,1-2H3,(H,15,17)
InChIKeyMTHCJNUOKMSGEM-UHFFFAOYSA-N
XLogP2.59
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216209
4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216096
2-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride
CID 65216260
3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 115949334
3,5-dimethyl-4-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43102261
N-(3-amino-2,6-dimethylphenyl)thiadiazole-5-carboxamide
CID 65216363
N-(4-methyl-3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 47332366
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
N-(2,4-dimethylphenyl)thiadiazole-5-carboxamide
CID 47259565
4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
CID 43097969
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
CID 65205156
3,5-diethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 43103561

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The IUPAC name of 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride (CID 65216262) is 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride.
What is the SMILES notation for 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The canonical SMILES for 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride is CCc1cc(S(=O)(=O)Cl)cc(C)c1NC(=O)c1cnns1.
What is the InChIKey of 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
The InChIKey is MTHCJNUOKMSGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-3-8-5-9(21(13,18)19)4-7(2)11(8)15-12(17)10-6-14-16-20-10/h4-6H,3H2,1-2H3,(H,15,17).
What are the key properties of 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride?
3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride has a molecular weight of 345.83 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-4-(thiadiazole-5-carbonylamino)benzenesulfonyl chloride is sourced from PubChem (CID 65216262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).