5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride

C10H10ClN3O3S3 — CID 65200013

IUPAC5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCc1nnsc1C(=O)NC(C)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H10ClN3O3S3/c1-5(7-3-4-8(18-7)20(11,16)17)12-10(15)9-6(2)13-14-19-9/h3-5H,1-2H3,(H,12,15)
InChIKeyDIEYYDWIMCLVNC-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.33
Rot. Bonds4

About 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride

5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride (PubChem CID 65200013) has the molecular formula C10H10ClN3O3S3 and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
PubChem CID65200013
Molecular FormulaC10H10ClN3O3S3
Molecular Weight351.86 g/mol
Exact Mass350.96
IUPAC Name5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride
SMILESCc1nnsc1C(=O)NC(C)c1ccc(S(=O)(=O)Cl)s1
InChIInChI=1S/C10H10ClN3O3S3/c1-5(7-3-4-8(18-7)20(11,16)17)12-10(15)9-6(2)13-14-19-9/h3-5H,1-2H3,(H,12,15)
InChIKeyDIEYYDWIMCLVNC-UHFFFAOYSA-N
XLogP2.33
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The IUPAC name of 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride (CID 65200013) is 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride is Cc1nnsc1C(=O)NC(C)c1ccc(S(=O)(=O)Cl)s1.
What is the InChIKey of 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
The InChIKey is DIEYYDWIMCLVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3S3/c1-5(7-3-4-8(18-7)20(11,16)17)12-10(15)9-6(2)13-14-19-9/h3-5H,1-2H3,(H,12,15).
What are the key properties of 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride?
5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride has a molecular weight of 351.86 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methylthiadiazole-5-carbonyl)amino]ethyl]thiophene-2-sulfonyl chloride is sourced from PubChem (CID 65200013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).