5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride

C11H14ClNO3S — CID 65372594

IUPAC5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO3S/c1-4-13(3)11(14)9-6-5-8(2)10(7-9)17(12,15)16/h5-7H,4H2,1-3H3
InChIKeyIUOKNNKTOVHSOZ-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.01
Rot. Bonds3

About 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride

5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride (PubChem CID 65372594) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
PubChem CID65372594
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Name5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C11H14ClNO3S/c1-4-13(3)11(14)9-6-5-8(2)10(7-9)17(12,15)16/h5-7H,4H2,1-3H3
InChIKeyIUOKNNKTOVHSOZ-UHFFFAOYSA-N
XLogP2.01
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371307
5-[2-methoxyethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65370990
N-[(4-chlorophenyl)methyl]-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27773808
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
N-benzyl-3-(diethylsulfamoyl)-N,4-dimethylbenzamide
CID 27665708
3-(diethylsulfamoyl)-N-[(4-ethylphenyl)methyl]-N,4-dimethylbenzamide
CID 26555928
2-bromo-5-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 65370836
2-bromo-5-(diethylcarbamoyl)benzenesulfonyl chloride
CID 65369018
2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
N,N,4-trimethyl-3-methylsulfonylbenzamide
CID 118473526
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 114944525
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride (CID 65372594) is 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride is CCN(C)C(=O)c1ccc(C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The InChIKey is IUOKNNKTOVHSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-4-13(3)11(14)9-6-5-8(2)10(7-9)17(12,15)16/h5-7H,4H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride has a molecular weight of 275.76 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 65372594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).