5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride

C9H10ClNO3S — CID 65368231

IUPAC5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C(N)=O)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C9H10ClNO3S/c1-5-3-7(9(11)12)4-8(6(5)2)15(10,13)14/h3-4H,1-2H3,(H2,11,12)
InChIKeyFNZOHNQRJVUDKZ-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.33
Rot. Bonds2

About 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride

5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride (PubChem CID 65368231) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
PubChem CID65368231
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
SMILESCc1cc(C(N)=O)cc(S(=O)(=O)Cl)c1C
InChIInChI=1S/C9H10ClNO3S/c1-5-3-7(9(11)12)4-8(6(5)2)15(10,13)14/h3-4H,1-2H3,(H2,11,12)
InChIKeyFNZOHNQRJVUDKZ-UHFFFAOYSA-N
XLogP1.33
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride?
The IUPAC name of 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride (CID 65368231) is 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride is Cc1cc(C(N)=O)cc(S(=O)(=O)Cl)c1C.
What is the InChIKey of 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride?
The InChIKey is FNZOHNQRJVUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-5-3-7(9(11)12)4-8(6(5)2)15(10,13)14/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride?
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride has a molecular weight of 247.70 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 65368231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).