5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride

C14H20ClNO4S — CID 114944525

IUPAC5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCCOC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H20ClNO4S/c1-5-20-14(3,4)9-16-13(17)11-7-6-10(2)12(8-11)21(15,18)19/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyPHMXRXCOVSOIHE-UHFFFAOYSA-N
MW333.84 g/mol
LogP2.47
Rot. Bonds6

About 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride

5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride (PubChem CID 114944525) has the molecular formula C14H20ClNO4S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
PubChem CID114944525
Molecular FormulaC14H20ClNO4S
Molecular Weight333.84 g/mol
Exact Mass333.08
IUPAC Name5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride
SMILESCCOC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C14H20ClNO4S/c1-5-20-14(3,4)9-16-13(17)11-7-6-10(2)12(8-11)21(15,18)19/h6-8H,5,9H2,1-4H3,(H,16,17)
InChIKeyPHMXRXCOVSOIHE-UHFFFAOYSA-N
XLogP2.47
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)benzenesulfonyl chloride
CID 43523684
2-methyl-5-(2,2,3,3-tetrafluoropropylcarbamoyl)benzenesulfonyl chloride
CID 106295733
3-bromo-5-[(2-ethoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 114942395
2-methyl-5-(2-methylpropylcarbamoyl)benzenesulfonyl chloride
CID 65367998
4-amino-3-chloro-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940306
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
4-amino-N-(2-ethoxy-2-methylpropyl)benzamide
CID 114940355
2-methyl-5-(3-methylpentan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370050
N-(2-ethoxy-2-methylpropyl)-2-methyl-4-(propylamino)benzamide
CID 114944148
2-chloro-N-(2-ethoxy-2-methylpropyl)-6-methylpyridine-4-carboxamide
CID 114941685
5-[ethyl(methyl)carbamoyl]-2-methylbenzenesulfonyl chloride
CID 65372594
N-(2-ethoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 114942665

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride (CID 114944525) is 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride is CCOC(C)(C)CNC(=O)c1ccc(C)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
The InChIKey is PHMXRXCOVSOIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO4S/c1-5-20-14(3,4)9-16-13(17)11-7-6-10(2)12(8-11)21(15,18)19/h6-8H,5,9H2,1-4H3,(H,16,17).
What are the key properties of 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride?
5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride has a molecular weight of 333.84 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxy-2-methylpropyl)carbamoyl]-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 114944525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).