4-carbamoyl-3-methylthiophene-2-sulfonyl chloride

C6H6ClNO3S2 — CID 79807645

IUPAC4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
SMILESCc1c(C(N)=O)csc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO3S2/c1-3-4(5(8)9)2-12-6(3)13(7,10)11/h2H,1H3,(H2,8,9)
InChIKeyNFKVNFTUUYTUKH-UHFFFAOYSA-N
MW239.70 g/mol
LogP1.08
Rot. Bonds2

About 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride

4-carbamoyl-3-methylthiophene-2-sulfonyl chloride (PubChem CID 79807645) has the molecular formula C6H6ClNO3S2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
PubChem CID79807645
Molecular FormulaC6H6ClNO3S2
Molecular Weight239.70 g/mol
Exact Mass238.95
IUPAC Name4-carbamoyl-3-methylthiophene-2-sulfonyl chloride
SMILESCc1c(C(N)=O)csc1S(=O)(=O)Cl
InChIInChI=1S/C6H6ClNO3S2/c1-3-4(5(8)9)2-12-6(3)13(7,10)11/h2H,1H3,(H2,8,9)
InChIKeyNFKVNFTUUYTUKH-UHFFFAOYSA-N
XLogP1.08
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride (CID 79807645) is 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride is Cc1c(C(N)=O)csc1S(=O)(=O)Cl.
What is the InChIKey of 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride?
The InChIKey is NFKVNFTUUYTUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3S2/c1-3-4(5(8)9)2-12-6(3)13(7,10)11/h2H,1H3,(H2,8,9).
What are the key properties of 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride?
4-carbamoyl-3-methylthiophene-2-sulfonyl chloride has a molecular weight of 239.70 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-3-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 79807645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).