4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride

C11H10ClN3O3S2 — CID 65214562

IUPAC4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride
SMILESCC(NC(=O)c1csnn1)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H10ClN3O3S2/c1-7(13-11(16)10-6-19-15-14-10)8-2-4-9(5-3-8)20(12,17)18/h2-7H,1H3,(H,13,16)
InChIKeyNFWXOQHYLZYRFL-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.96
Rot. Bonds4

About 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride

4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride (PubChem CID 65214562) has the molecular formula C11H10ClN3O3S2 and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride
PubChem CID65214562
Molecular FormulaC11H10ClN3O3S2
Molecular Weight331.81 g/mol
Exact Mass330.99
IUPAC Name4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride
SMILESCC(NC(=O)c1csnn1)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H10ClN3O3S2/c1-7(13-11(16)10-6-19-15-14-10)8-2-4-9(5-3-8)20(12,17)18/h2-7H,1H3,(H,13,16)
InChIKeyNFWXOQHYLZYRFL-UHFFFAOYSA-N
XLogP1.96
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(3-hydroxyprop-1-ynyl)phenyl]ethyl]thiadiazole-4-carboxamide
CID 65216183
N-[1-(3-aminophenyl)ethyl]thiadiazole-4-carboxamide
CID 65214697
3-[4-(thiadiazole-4-carbonylamino)phenyl]butanoic acid
CID 104501495
(2S)-2-phenyl-2-(thiadiazole-4-carbonylamino)acetic acid
CID 103804690
(2S,3S)-3-methyl-2-(thiadiazole-4-carbonylamino)pentanoic acid
CID 65214443
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
4-[1-[(2,2-dimethylcyclopropanecarbonyl)amino]ethyl]benzenesulfonyl chloride
CID 107000623
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 31883285
N-[(1R)-1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]thiadiazole-4-carboxamide
CID 95616290
5-chloro-N-[1-(4-sulfamoylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618162
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
N-(1-bromo-4-methylpentan-3-yl)thiadiazole-4-carboxamide
CID 106355309

Frequently Asked Questions

What is the IUPAC name of 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride?
The IUPAC name of 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride (CID 65214562) is 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride is CC(NC(=O)c1csnn1)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride?
The InChIKey is NFWXOQHYLZYRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S2/c1-7(13-11(16)10-6-19-15-14-10)8-2-4-9(5-3-8)20(12,17)18/h2-7H,1H3,(H,13,16).
What are the key properties of 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride?
4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride has a molecular weight of 331.81 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(thiadiazole-4-carbonylamino)ethyl]benzenesulfonyl chloride is sourced from PubChem (CID 65214562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).