4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride

C12H12ClN3O3S2 — CID 65205156

IUPAC4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
SMILESCCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C12H12ClN3O3S2/c1-3-9-11(20-16-15-9)12(17)14-10-5-4-8(6-7(10)2)21(13,18)19/h4-6H,3H2,1-2H3,(H,14,17)
InChIKeyNNHPHIXNYMCKRM-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.59
Rot. Bonds4

About 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride

4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride (PubChem CID 65205156) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
PubChem CID65205156
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride
SMILESCCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C12H12ClN3O3S2/c1-3-9-11(20-16-15-9)12(17)14-10-5-4-8(6-7(10)2)21(13,18)19/h4-6H,3H2,1-2H3,(H,14,17)
InChIKeyNNHPHIXNYMCKRM-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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride (CID 65205156) is 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride is CCc1nnsc1C(=O)Nc1ccc(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
The InChIKey is NNHPHIXNYMCKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-3-9-11(20-16-15-9)12(17)14-10-5-4-8(6-7(10)2)21(13,18)19/h4-6H,3H2,1-2H3,(H,14,17).
What are the key properties of 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride?
4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl 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 4-[(4-ethylthiadiazole-5-carbonyl)amino]-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65205156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).