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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Related Compounds

3-methyl-4-(3,3,3-trifluoropropylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807759
3-methyl-4-[methyl(3,3,3-trifluoropropyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79807441
4-(cyclopentylcarbamoyl)-3-methylthiophene-2-sulfonyl chloride
CID 79808886
3-methyl-4-(3-methylpentan-2-ylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79807541
3-methyl-4-[(4-methylcyclohexyl)carbamoyl]thiophene-2-sulfonyl chloride
CID 79808381
(2-methylcyclohexyl) 5-chlorosulfonyl-4-methylthiophene-3-carboxylate
CID 79807442
4-[(4-ethylcyclohexyl)carbamoyl]-3-methylthiophene-2-sulfonyl chloride
CID 79808812
3-methyl-4-(oxolan-3-ylmethylcarbamoyl)thiophene-2-sulfonyl chloride
CID 79808782
3-carbamoyl-4,5-dimethylbenzenesulfonyl chloride
CID 65367984
4-chlorosulfonyl-5-methylthiophene-3-carboxylic acid
CID 142039183
N-butyl-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 79819376
N-(3,3-dimethylbutan-2-yl)-4-methyl-5-sulfamoylthiophene-3-carboxamide
CID 104830396

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).