4-carbamoyl-2-methylbenzenesulfonyl chloride

C8H8ClNO3S — CID 15922007

IUPAC4-carbamoyl-2-methylbenzenesulfonyl chloride
SMILESCc1cc(C(N)=O)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClNO3S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/h2-4H,1H3,(H2,10,11)
InChIKeyVHYDRQIMRNKXFN-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.02
Rot. Bonds2

About 4-carbamoyl-2-methylbenzenesulfonyl chloride

4-carbamoyl-2-methylbenzenesulfonyl chloride (PubChem CID 15922007) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 4-carbamoyl-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-carbamoyl-2-methylbenzenesulfonyl chloride
PubChem CID15922007
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name4-carbamoyl-2-methylbenzenesulfonyl chloride
SMILESCc1cc(C(N)=O)ccc1S(=O)(=O)Cl
InChIInChI=1S/C8H8ClNO3S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/h2-4H,1H3,(H2,10,11)
InChIKeyVHYDRQIMRNKXFN-UHFFFAOYSA-N
XLogP1.02
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-2-methylbenzenesulfonyl chloride
CID 146613857
5-carbamoyl-2,3-dimethylbenzenesulfonyl chloride
CID 65368231
5-carbamoyl-2-fluorobenzenesulfonyl chloride
CID 65368033
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
3,4-dimethylbenzamide;3,4-dimethylbenzoyl chloride;methane
CID 159802984
4-chloro-3-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60531609
4-[(4-chloro-2-methylphenyl)sulfonylamino]benzamide
CID 60532889
4-(chloromethylsulfonylamino)-3-methylbenzamide
CID 63666829
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-(chloromethyl)-2-methylbenzenesulfonyl chloride
CID 83272073
4-methyl-3-phosphanylbenzamide
CID 142140528
3-chloro-4-(trifluoromethylsulfonyl)benzamide
CID 57432721

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-2-methylbenzenesulfonyl chloride?
The IUPAC name of 4-carbamoyl-2-methylbenzenesulfonyl chloride (CID 15922007) is 4-carbamoyl-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-carbamoyl-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-carbamoyl-2-methylbenzenesulfonyl chloride is Cc1cc(C(N)=O)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-carbamoyl-2-methylbenzenesulfonyl chloride?
The InChIKey is VHYDRQIMRNKXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/h2-4H,1H3,(H2,10,11).
What are the key properties of 4-carbamoyl-2-methylbenzenesulfonyl chloride?
4-carbamoyl-2-methylbenzenesulfonyl chloride has a molecular weight of 233.68 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 15922007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).