5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride

C9H8ClNO3S2 — CID 52997037

IUPAC5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
SMILESCc1noc(-c2ccc(S(=O)(=O)Cl)s2)c1C
InChIInChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3
InChIKeyZKYVRFMQSGQKMT-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.95
Rot. Bonds2

About 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride

5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride (PubChem CID 52997037) has the molecular formula C9H8ClNO3S2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
PubChem CID52997037
Molecular FormulaC9H8ClNO3S2
Molecular Weight277.75 g/mol
Exact Mass276.96
IUPAC Name5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride
SMILESCc1noc(-c2ccc(S(=O)(=O)Cl)s2)c1C
InChIInChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3
InChIKeyZKYVRFMQSGQKMT-UHFFFAOYSA-N
XLogP2.95
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
The IUPAC name of 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride (CID 52997037) is 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
The canonical SMILES for 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride is Cc1noc(-c2ccc(S(=O)(=O)Cl)s2)c1C.
What is the InChIKey of 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
The InChIKey is ZKYVRFMQSGQKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO3S2/c1-5-6(2)11-14-9(5)7-3-4-8(15-7)16(10,12)13/h3-4H,1-2H3.
What are the key properties of 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride?
5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride has a molecular weight of 277.75 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-sulfonyl chloride is sourced from PubChem (CID 52997037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).