4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride

C12H16ClNO4S — CID 43097969

IUPAC4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
SMILESCCOCC(=O)Nc1c(C)cc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C12H16ClNO4S/c1-4-18-7-11(15)14-12-8(2)5-10(6-9(12)3)19(13,16)17/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyNSUZYCXQXHRLJJ-UHFFFAOYSA-N
MW305.78 g/mol
LogP2.21
Rot. Bonds5

About 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride

4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride (PubChem CID 43097969) has the molecular formula C12H16ClNO4S and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
PubChem CID43097969
Molecular FormulaC12H16ClNO4S
Molecular Weight305.78 g/mol
Exact Mass305.05
IUPAC Name4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride
SMILESCCOCC(=O)Nc1c(C)cc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C12H16ClNO4S/c1-4-18-7-11(15)14-12-8(2)5-10(6-9(12)3)19(13,16)17/h5-6H,4,7H2,1-3H3,(H,14,15)
InChIKeyNSUZYCXQXHRLJJ-UHFFFAOYSA-N
XLogP2.21
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethoxyacetyl)amino]-3,5-diethylbenzenesulfonyl chloride
CID 43098447
3,5-dimethyl-4-(pentanoylamino)benzenesulfonyl chloride
CID 18070783
3-ethyl-5-methyl-4-[(2-propan-2-yloxyacetyl)amino]benzenesulfonyl chloride
CID 115949334
3-methyl-4-[(2-propoxyacetyl)amino]benzenesulfonyl chloride
CID 107938552
2-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzoic acid
CID 55176727
N-(2,6-dichloro-3-methylphenyl)-2-ethoxyacetamide
CID 64591166
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646149
4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43210055
N-(2,6-dimethyl-4-sulfamoylphenyl)-2-propan-2-yloxyacetamide
CID 113355675
N-(3-amino-2,6-dimethylphenyl)-2-ethoxyacetamide
CID 28776914
2-ethoxy-N-(2-fluoro-6-methylphenyl)acetamide
CID 115909342
3-chloro-4-[(2-cyclobutylacetyl)amino]-5-methylbenzenesulfonyl chloride
CID 103164416

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride?
The IUPAC name of 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride (CID 43097969) is 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride.
What is the SMILES notation for 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride?
The canonical SMILES for 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride is CCOCC(=O)Nc1c(C)cc(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride?
The InChIKey is NSUZYCXQXHRLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO4S/c1-4-18-7-11(15)14-12-8(2)5-10(6-9(12)3)19(13,16)17/h5-6H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride?
4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride has a molecular weight of 305.78 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyacetyl)amino]-3,5-dimethylbenzenesulfonyl chloride is sourced from PubChem (CID 43097969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).